Geometry & MOs

Info

ID:	138397
PubChem CID:	52359907
Reduced:	ClSN2O3C16H17 (1)
Stoich.:	ABC2D3E16F17 (1)
Weight, g/mol:	366.169191
ΔH_f, kcal/mol:	-77.93
Dipole, Da:	2.83
IP(EA), eV:	-9.2(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=C1Cl)NC(=O)CN(C)C(=O)C2=CC=CS2

DOS

IR

Vibrations