Geometry & MOs

Info

ID:	26921
PubChem CID:	804391
Reduced:	N2O6H12C17 (1)
Stoich.:	A2B6C12D17 (1)
Weight, g/mol:	328.088164
ΔH_f, kcal/mol:	-105.21
Dipole, Da:	6.19
IP(EA), eV:	-9.09(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations