Geometry & MOs

Info

ID:	213631
PubChem CID:	81064433
Reduced:	N3O5C13H19 (1)
Stoich.:	A3B5C13D19 (1)
Weight, g/mol:	287.038292
ΔH_f, kcal/mol:	-143.01
Dipole, Da:	7.64
IP(EA), eV:	-10.06(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)N1C=C(C=C1C(=O)NCC(C)CC(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations