Geometry & MOs

Info

ID:	179493
PubChem CID:	76490586
Reduced:	FNO5C22H32 (1)
Stoich.:	ABC5D22E32 (1)
Weight, g/mol:	640.41009
ΔH_f, kcal/mol:	-304.33
Dipole, Da:	1.66
IP(EA), eV:	-9.66(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-[2-[4-(5-hydroxy-2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one

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)C(CC1COC(N1C(=O)OC(C)(C)C)(C)C)CC2=CC=C(C=C2)F

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)C(CC1COC(N1C(=O)OC(C)(C)C)(C)C)CC2=CC=C(C=C2)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):