Geometry & MOs

Info

ID:	243620
PubChem CID:	99233436
Reduced:	SN2O4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	361.215413
ΔH_f, kcal/mol:	-95.62
Dipole, Da:	4.23
IP(EA), eV:	-9.0(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-benzimidazol-2-yl)-1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[C@H]2CCCN2C(=O)C3=CC=C(O3)S(=O)(=O)NC4CC4)C

DOS

IR

Vibrations