Geometry & MOs

Info

ID:	56071
PubChem CID:	17404184
Reduced:	SN3O4C16H17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	460.247441
ΔH_f, kcal/mol:	-23.53
Dipole, Da:	5.12
IP(EA), eV:	-8.84(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCON2C3=C(C=CC(=C3)S(=O)(=O)C)N=N2

DOS

IR

Vibrations