Geometry & MOs

Info

ID:	182064
PubChem CID:	76834844
Reduced:	NCl2O2C21H25 (1)
Stoich.:	AB2C2D21E25 (1)
Weight, g/mol:	394.146347
ΔH_f, kcal/mol:	-85.21
Dipole, Da:	1.47
IP(EA), eV:	-9.35(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethylidene-N-(5-methyl-1,3-thiazol-2-yl)-13-oxo-8,9,10,11-tetrahydro-7H-azocino[2,1-b]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(C)(C1=CC=C(C=C1)Cl)C(CCC(=O)O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations