Geometry & MOs

Info

ID:	225309
PubChem CID:	85756461
Reduced:	ClO2N3H14C17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	408.164499
ΔH_f, kcal/mol:	-10.59
Dipole, Da:	6.39
IP(EA), eV:	-8.82(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-amino-2-[[2-(4-nitrophenyl)acetyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)NC2=CC=C(C=C2)C3=CN=CO3

DOS

IR

Vibrations