Geometry & MOs

Info

ID:	162461
PubChem CID:	57394740
Reduced:	SN3O4H19C21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	491.109542
ΔH_f, kcal/mol:	-75.7
Dipole, Da:	6.66
IP(EA), eV:	-9.11(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-(3-chloro-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-N-ethyl-4-[(3,4,5-trimethoxybenzoyl)amino]-2H-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=CC=C2C(=O)/C=C/C3=CC=CN3

DOS

IR

Vibrations