Geometry & MOs

Info

ID:	445141
PubChem CID:	135264673
Reduced:	ClSO2N4C22H23 (1)
Stoich.:	ABC2D4E22F23 (1)
Weight, g/mol:	474.086161
ΔH_f, kcal/mol:	-43.42
Dipole, Da:	6.59
IP(EA), eV:	-8.6(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dichloro-N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-6-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=S)NCC2=CC3=C(CN(C3)C4CCC(=O)NC4=O)C=C2)Cl

DOS

IR

Vibrations