Geometry & MOs

Info

ID:	213512
PubChem CID:	81063960
Reduced:	N2O3C15H18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	330.98778
ΔH_f, kcal/mol:	-117.65
Dipole, Da:	4.08
IP(EA), eV:	-8.8(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations