Geometry & MOs

Info

ID:	128599
PubChem CID:	51051577
Reduced:	FSN3O3H20C21 (1)
Stoich.:	ABC3D3E20F21 (1)
Weight, g/mol:	381.168856
ΔH_f, kcal/mol:	-103.37
Dipole, Da:	13.07
IP(EA), eV:	-8.39(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxypropyl)-4-[(1-methyl-2,4-dioxoquinazolin-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations