Geometry & MOs

Info

ID:	135734
PubChem CID:	51923042
Reduced:	FO2N3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	276.093249
ΔH_f, kcal/mol:	-82.34
Dipole, Da:	6.75
IP(EA), eV:	-8.25(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanoate

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CN(C)C(=O)[C@H]2CC(=O)N(C2)C3=CC=CC=C3F

DOS

IR

Vibrations