Geometry & MOs

Info

ID:	148448
PubChem CID:	53788110
Reduced:	NOC17H27 (1)
Stoich.:	ABC17D27 (1)
Weight, g/mol:	432.108814
ΔH_f, kcal/mol:	-76.47
Dipole, Da:	3.72
IP(EA), eV:	-9.18(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-[[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]amino]-3-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)C(C)C

DOS

IR

Vibrations