Geometry & MOs

Info

ID:	192126
PubChem CID:	78232683
Reduced:	SN3O3C18H25 (1)
Stoich.:	AB3C3D18E25 (1)
Weight, g/mol:	433.119319
ΔH_f, kcal/mol:	-90.79
Dipole, Da:	5.95
IP(EA), eV:	-9.15(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(2-methoxyphenyl)methyl]-N-[(4-oxo-4aH-quinazolin-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=O)C12)CN(C3CCCCC3)C(=O)COC)C

DOS

IR

Vibrations