Geometry & MOs

Info

ID:	140460
PubChem CID:	52702419
Reduced:	N3O6H23C25 (1)
Stoich.:	A3B6C23D25 (1)
Weight, g/mol:	444.216141
ΔH_f, kcal/mol:	-114.8
Dipole, Da:	9.38
IP(EA), eV:	-9.08(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-3-[[(2S)-3-methyl-2-(phenylcarbamoylamino)butanoyl]amino]phenyl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)C)[N+](=O)[O-]

DOS

IR

Vibrations