Geometry & MOs

Info

ID:	342029
PubChem CID:	127264742
Reduced:	BrNSO3H8C9 (1)
Stoich.:	ABCD3E8F9 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-79.31
Dipole, Da:	2.15
IP(EA), eV:	-9.51(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2-methylpent-2-enoylamino)-2-phenylacetic acid

Drug info:

PubChemData

Smile

C1=C(SC=C1Br)C=CC(=O)NCC(=O)O

DOS

IR

Vibrations