Geometry & MOs

Info

ID:	161767
PubChem CID:	57392591
Reduced:	ClFSO3N4C30H30 (1)
Stoich.:	ABCD3E4F30G30 (1)
Weight, g/mol:	381.143704
ΔH_f, kcal/mol:	-62.2
Dipole, Da:	5.62
IP(EA), eV:	-8.6(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[2-[2-methyl-3-(2-methylphenyl)-4-oxoquinazolin-8-yl]oxyacetyl]amino]urea

Drug info:

PubChemData

Smile

CC1=C(C(=NC=N1)NC2=CC(=C(C=C2)OCC3=CC(=CC=C3)F)Cl)/C=C/C4=CC=C(C=C4)CNCCS(=O)(=O)C

DOS

IR

Vibrations