Geometry & MOs

Info

ID:	197548
PubChem CID:	78976497
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	318.053798
ΔH_f, kcal/mol:	-123.57
Dipole, Da:	9.87
IP(EA), eV:	-9.82(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(2,3-dichlorophenyl)carbamoylamino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(=O)O)NC(=O)NCC1=CC=CC=N1

DOS

IR

Vibrations