Geometry & MOs

Info

ID:	303384
PubChem CID:	124489621
Reduced:	ON2C17H26 (1)
Stoich.:	AB2C17D26 (1)
Weight, g/mol:	469.355594
ΔH_f, kcal/mol:	-50.1
Dipole, Da:	3.58
IP(EA), eV:	-9.3(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,6S)-6-[(3Z,5R,9S,10R,13S,14S,17R)-3-hydroxyimino-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid

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

C[C@@H]1CCCN([C@H]1C)C(=O)CC[C@@H](C2=CC=CC=C2)N

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[C@@H]1CCCN([C@H]1C)C(=O)CC[C@@H](C2=CC=CC=C2)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):