Geometry & MOs

Info

ID:	177766
PubChem CID:	76228520
Reduced:	SO2N6C22H22 (1)
Stoich.:	AB2C6D22E22 (1)
Weight, g/mol:	433.095997
ΔH_f, kcal/mol:	62.73
Dipole, Da:	5.59
IP(EA), eV:	-9.06(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dichlorophenoxy)-N-[(4-oxo-4aH-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide

Drug info:

PubChemData

Smile

CC(C)N(CC1=NC(=O)C2C=CC=CC2=N1)C(=O)C3=CC=C(C=C3)CSC4=NC=NN4

DOS

IR

Vibrations