Geometry & MOs

Info

ID:	192966
PubChem CID:	78330052
Reduced:	N3S3O4H21C23 (1)
Stoich.:	A3B3C4D21E23 (1)
Weight, g/mol:	360.018081
ΔH_f, kcal/mol:	-35.96
Dipole, Da:	5.55
IP(EA), eV:	-9.15(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,5-dichlorophenyl)methylideneamino]-4-oxo-4aH-quinazoline-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C3=NC(=NC(=O)C3SC2=S)SCC4=C(C=CC(=C4)C(=O)C)OC

DOS

IR

Vibrations