Geometry & MOs

Info

ID:	129015
PubChem CID:	51066543
Reduced:	ClN2O6C18H25 (1)
Stoich.:	AB2C6D18E25 (1)
Weight, g/mol:	762.31173
ΔH_f, kcal/mol:	-271.91
Dipole, Da:	5.35
IP(EA), eV:	-9.59(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S,5R,8R,9R,10S,13S,14R,16R,17R)-17-acetyloxy-2,16-bis(4,4-dimethylpiperazin-4-ium-1-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;dibromide

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

CC(C)(C)OC(=O)N([C@@H](CCCN)C(=O)O)C(=O)OCC1=CC=CC=C1Cl

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

CC(C)(C)OC(=O)N([C@@H](CCCN)C(=O)O)C(=O)OCC1=CC=CC=C1Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):