Geometry & MOs

Info

ID:	182553
PubChem CID:	76905752
Reduced:	ON4C15H22 (1)
Stoich.:	AB4C15D22 (1)
Weight, g/mol:	311.01314
ΔH_f, kcal/mol:	25.31
Dipole, Da:	5.51
IP(EA), eV:	-8.5(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-1,3-thiazol-5-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(CCN(C)C)NCC1=NC(=O)C2C=CC=CC2=N1

DOS

IR

Vibrations