Geometry & MOs

Info

ID:	193119
PubChem CID:	78346685
Reduced:	BrSN2O6C31H37 (1)
Stoich.:	ABC2D6E31F37 (1)
Weight, g/mol:	352.117155
ΔH_f, kcal/mol:	-207.45
Dipole, Da:	5.5
IP(EA), eV:	-9.11(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,3-dimethoxyphenyl)methylideneamino]-4-oxo-4aH-quinazoline-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCC2C(C1)C(=O)C(=CO2)CN(CC3=CC=CC=C3)C(=O)CN(CC4CCCO4)S(=O)(=O)C5=CC=C(C=C5)Br

DOS

IR

Vibrations