Geometry & MOs

Info

ID:	137357
PubChem CID:	52196209
Reduced:	O2N5C20H25 (1)
Stoich.:	A2B5C20D25 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	-31.86
Dipole, Da:	1.35
IP(EA), eV:	-8.92(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-[[(2R)-3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]amino]benzamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NC(=O)C(=O)NCC2CCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations