Geometry & MOs

Info

ID:	48432
PubChem CID:	10548010
Reduced:	NO3C24H33 (1)
Stoich.:	AB3C24D33 (1)
Weight, g/mol:	385.146013
ΔH_f, kcal/mol:	-106.93
Dipole, Da:	3.22
IP(EA), eV:	-8.19(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-1-phenylbut-3-en-1-ol

Drug info:

PubChemData

Smile

CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3/C(=C/CCCCCO)/CC4

DOS

IR

Vibrations