Geometry & MOs

Info

ID:	243617
PubChem CID:	99233411
Reduced:	N2O4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	379.171834
ΔH_f, kcal/mol:	-107.91
Dipole, Da:	5.25
IP(EA), eV:	-8.67(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-[(2R)-2-propan-2-ylpyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)COC2=C(C=C(C=C2)C(=O)N3CCC[C@@H]3C(C)C)OC

DOS

IR

Vibrations