Geometry & MOs

Info

ID:	342224
PubChem CID:	127265001
Reduced:	SN2O6C21H26 (1)
Stoich.:	AB2C6D21E26 (1)
Weight, g/mol:	408.179755
ΔH_f, kcal/mol:	-188.45
Dipole, Da:	9.11
IP(EA), eV:	-8.55(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methoxy-4-[2-(1-methylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

CCCOC1=CC(=O)/C(=C\NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3)/C=C1

DOS

IR

Vibrations