Geometry & MOs

Info

ID:	167282
PubChem CID:	74803083
Reduced:	FO2N3C24H28 (1)
Stoich.:	AB2C3D24E28 (1)
Weight, g/mol:	437.237508
ΔH_f, kcal/mol:	-92.2
Dipole, Da:	8.48
IP(EA), eV:	-8.49(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(1H-benzimidazol-2-ylsulfanyl)-N-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-1-ium-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C(=O)N2CCCC3C2CCN(C3)C(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations