Geometry & MOs

Info

ID:	303486
PubChem CID:	124489804
Reduced:	NCl2O4C15H19 (1)
Stoich.:	AB2C4D15E19 (1)
Weight, g/mol:	315.128214
ΔH_f, kcal/mol:	-202.73
Dipole, Da:	6.2
IP(EA), eV:	-9.55(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-amino-4-(3,4-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@H]([C@@H](CC1=C(C=C(C=C1)Cl)Cl)N)C(=O)O

DOS

IR

Vibrations