Geometry & MOs

Info

ID:	282433
PubChem CID:	103926766
Reduced:	BrNO3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	278.126657
ΔH_f, kcal/mol:	-113.06
Dipole, Da:	7.9
IP(EA), eV:	-9.91(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(4-carbamoylbenzoyl)amino]-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](C(=O)O)NC(=O)/C=C/C1=CC=CC=C1Br

DOS

IR

Vibrations