Geometry & MOs

Info

ID:	322451
PubChem CID:	126670193
Reduced:	BrOC10H21 (1)
Stoich.:	ABC10D21 (1)
Weight, g/mol:	456.335193
ΔH_f, kcal/mol:	-91.16
Dipole, Da:	2.79
IP(EA), eV:	-10.2(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-[(8S,9S,10S,13R,14S,17S)-17-acetyl-9,10,13,14-tetramethyl-1,2,6,7,8,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-ylidene]amino] (2S)-2-amino-3-methylbutanoate

Drug info:

PubChemData

Smile

CCC(C)(CC(C)(C)CBr)CO

DOS

IR

Vibrations