Geometry & MOs

Info

ID:	342311
PubChem CID:	127265088
Reduced:	SN2O3C17H18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	342.103814
ΔH_f, kcal/mol:	-66.24
Dipole, Da:	3.87
IP(EA), eV:	-9.45(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]-3-oxoprop-1-enyl]benzoic acid

Drug info:

PubChemData

Smile

CCC(C)(C1=NC=CS1)NC(=O)C=CC2=CC=C(C=C2)C(=O)O

DOS

IR

Vibrations