Geometry & MOs

Info

ID:	245284
PubChem CID:	99443251
Reduced:	SO2N6C25H28 (1)
Stoich.:	AB2C6D25E28 (1)
Weight, g/mol:	352.120526
ΔH_f, kcal/mol:	22.11
Dipole, Da:	6.69
IP(EA), eV:	-8.41(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-(methanesulfonamido)-N-[(4-oxo-1H-quinazolin-2-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)CC3=C(N(N=C3C)C4=NC(=CC(=N4)C)C)C)C

DOS

IR

Vibrations