Geometry & MOs

Info

ID:	398264
PubChem CID:	135032576
Reduced:	O16C29H36 (1)
Stoich.:	A16B29C36 (1)
Weight, g/mol:	356.119464
ΔH_f, kcal/mol:	-673.93
Dipole, Da:	2.0
IP(EA), eV:	-9.88(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl)-[2-[(1S)-1-methoxypropyl]sulfanylbenzimidazol-1-yl]methanone

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1[C@@H](C(O[C@@H](C1OC(=O)C)O[C@H]2[C@H]3C(COC(O3)C4=CC=CC=C4)O[C@@H](C2OC(=O)C)OC)OC(=O)C)OC(=O)C

DOS

IR

Vibrations