Geometry & MOs

Info

ID:	282432
PubChem CID:	103926756
Reduced:	NO4C16H23 (1)
Stoich.:	AB4C16D23 (1)
Weight, g/mol:	339.04701
ΔH_f, kcal/mol:	-183.56
Dipole, Da:	6.93
IP(EA), eV:	-9.1(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations