Geometry & MOs

Info

ID:	45986
PubChem CID:	10520037
Reduced:	SO4C17H24 (1)
Stoich.:	AB4C17D24 (1)
Weight, g/mol:	324.077789
ΔH_f, kcal/mol:	-163.47
Dipole, Da:	7.51
IP(EA), eV:	-8.36(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-chloroanilino)quinazolin-7-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[S@](=O)CC(=O)CCC2COC(OC2)(C)C

DOS

IR

Vibrations