Geometry & MOs

Info

ID:	138101
PubChem CID:	52314864
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-123.45
Dipole, Da:	4.08
IP(EA), eV:	-8.95(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[(2S)-1-[[3-[[(2S)-2-methylbutanoyl]amino]phenyl]methylamino]-1-oxopropan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC[C@@H](C)C(=O)NC1=CC=CC(=C1)CNC(=O)[C@H](C)NC(=O)C2=CC=CC(=C2)C

DOS

IR

Vibrations