Geometry & MOs

Info

ID:	221226
PubChem CID:	85261588
Reduced:	SiN3O8C25H45 (1)
Stoich.:	AB3C8D25E45 (1)
Weight, g/mol:	543.392783
ΔH_f, kcal/mol:	-425.86
Dipole, Da:	4.03
IP(EA), eV:	-8.88(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,17-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]ethanamine

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

CC1(OC(C(O1)C(C2=CN=C(N=C2OC)OC)O)C(CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(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

CC1(OC(C(O1)C(C2=CN=C(N=C2OC)OC)O)C(CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):