Geometry & MOs

Info

ID:	280038
PubChem CID:	103846503
Reduced:	BrNOH8C10 (1)
Stoich.:	ABCD8E10 (1)
Weight, g/mol:	216.031711
ΔH_f, kcal/mol:	40.47
Dipole, Da:	4.7
IP(EA), eV:	-9.4(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC(=O)C#C

DOS

IR

Vibrations