Geometry & MOs

Info

ID:	43190
PubChem CID:	10319289
Reduced:	O3N8C18H32 (1)
Stoich.:	A3B8C18D32 (1)
Weight, g/mol:	408.171893
ΔH_f, kcal/mol:	-84.06
Dipole, Da:	3.43
IP(EA), eV:	-9.01(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6Z,13S)-13-ethyl-6-hydroxyimino-2-methoxy-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-3-yl] sulfamate

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCC(CCN)NCCCCN)O)O)N

DOS

IR

Vibrations