Geometry & MOs

Info

ID:	38554
PubChem CID:	8137050
Reduced:	SN3O4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	312.111007
ΔH_f, kcal/mol:	-114.38
Dipole, Da:	7.67
IP(EA), eV:	-8.8(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1-oxidopyridin-1-ium-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NCC(=O)NC2CC2)C3=CC=CC=C3

DOS

IR

Vibrations