Geometry & MOs

Info

ID:	149125
PubChem CID:	53788797
Reduced:	ClNO2H10C14 (1)
Stoich.:	ABC2D10E14 (1)
Weight, g/mol:	386.01274
ΔH_f, kcal/mol:	-18.21
Dipole, Da:	5.81
IP(EA), eV:	-9.42(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-4-cyano-2-[(4-iodobenzoyl)amino]-2-methylbutanoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N=CC2=CC=C(C=C2)C(=O)O)Cl

DOS

IR

Vibrations