Geometry & MOs

Info

ID:	392002
PubChem CID:	135011874
Reduced:	N2O3C25H26 (1)
Stoich.:	A2B3C25D26 (1)
Weight, g/mol:	630.522735
ΔH_f, kcal/mol:	-53.72
Dipole, Da:	2.5
IP(EA), eV:	-8.83(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[(2R,6R)-6-[(3S,5S,9R,10S,13R,14R,17R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptoxy]-dimethylsilane

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCOC(=O)C1=C(N=C2CC(C/C(=N\O)/C2=C1C3=CC=CC4=CC=CC=C43)(C)C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCOC(=O)C1=C(N=C2CC(C/C(=N\O)/C2=C1C3=CC=CC4=CC=CC=C43)(C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):