Geometry & MOs

Info

ID:	388824
PubChem CID:	134990320
Reduced:	NP3C4O8H12 (1)
Stoich.:	AB3C4D8E12 (1)
Weight, g/mol:	548.298533
ΔH_f, kcal/mol:	-491.81
Dipole, Da:	4.61
IP(EA), eV:	-9.76(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5R,8R,9S,10R,13R,14S,17R)-3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde

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

C(CC1(P(=O)(OP(OP1(=O)O)O)O)O)CN

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

C(CC1(P(=O)(OP(OP1(=O)O)O)O)O)CN

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):