Geometry & MOs

Info

ID:	218695
PubChem CID:	85089821
Reduced:	N2O4C31H32 (1)
Stoich.:	A2B4C31D32 (1)
Weight, g/mol:	496.26857
ΔH_f, kcal/mol:	-60.65
Dipole, Da:	7.27
IP(EA), eV:	-9.23(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[(1-anilino-4-methyl-1-oxopentan-2-yl)amino]-5-benzamido-1-oxopentan-2-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1(C(=NOC1=O)C(C)(C)C)CC(C(=O)OC)NC2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5

DOS

IR

Vibrations