Geometry & MOs

Info

ID:	225772
PubChem CID:	87226000
Reduced:	N2O4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	371.082744
ΔH_f, kcal/mol:	-147.64
Dipole, Da:	3.66
IP(EA), eV:	-8.72(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-(3H-1,3-thiazol-2-ylidene)-2-(3,4,5-trimethoxybenzoyl)cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)N(C)[C@@H](C)C(=O)O

DOS

IR

Vibrations