Geometry & MOs

Info

ID:	61432
PubChem CID:	26709344
Reduced:	SN2O2H18C19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	378.103814
ΔH_f, kcal/mol:	-11.07
Dipole, Da:	2.82
IP(EA), eV:	-8.57(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(E)-3-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-3-oxoprop-1-enyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)C

DOS

IR

Vibrations