Geometry & MOs

Info

ID:	302421
PubChem CID:	124361678
Reduced:	NO7C23H25 (1)
Stoich.:	AB7C23D25 (1)
Weight, g/mol:	332.069448
ΔH_f, kcal/mol:	-275.4
Dipole, Da:	4.82
IP(EA), eV:	-9.41(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3S)-2-[(3,4-dichlorophenyl)carbamoylamino]-3-methylpentanoate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)OC1=CC(=C2C(=C1)OC3=CC=CC=C3C2=O)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations