Geometry & MOs

Info

ID:	39945
PubChem CID:	8143242
Reduced:	O4N5C19H27 (1)
Stoich.:	A4B5C19D27 (1)
Weight, g/mol:	381.114713
ΔH_f, kcal/mol:	-147.77
Dipole, Da:	8.2
IP(EA), eV:	-8.91(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CNC(=O)CN(CCOC)CC1=NC(=O)C2=CC=CC=C2N1

DOS

IR

Vibrations