Geometry & MOs

Info

ID:	38092
PubChem CID:	8026948
Reduced:	OS2N4C14H14 (1)
Stoich.:	AB2C4D14E14 (1)
Weight, g/mol:	400.171082
ΔH_f, kcal/mol:	42.76
Dipole, Da:	5.65
IP(EA), eV:	-8.48(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[butyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-N-(2,6-difluorophenyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=NC(=CS1)CSC2=NC3=CC=CC=C3N2C

DOS

IR

Vibrations