Geometry & MOs

Info

ID:	161282
PubChem CID:	57391244
Reduced:	ClSN2O4H19C23 (1)
Stoich.:	ABC2D4E19F23 (1)
Weight, g/mol:	415.210721
ΔH_f, kcal/mol:	-86.43
Dipole, Da:	8.16
IP(EA), eV:	-9.2(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-4-(cyclohexanecarbonylamino)-N-ethyl-5-(4-hydroxy-6-oxo-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)-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=CC=C3Cl

DOS

IR

Vibrations