Geometry & MOs

Info

ID:	323185
PubChem CID:	126673315
Reduced:	ClNSO3C22H22 (1)
Stoich.:	ABCD3E22F22 (1)
Weight, g/mol:	299.067284
ΔH_f, kcal/mol:	-85.14
Dipole, Da:	6.93
IP(EA), eV:	-8.84(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-amino-4-(2-amino-4-chlorophenyl)-4-oxobutanoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1=C(SC2=C1[C@H](O[C@@H](C3=CC(=O)N(C=C32)C)CCO)C4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations