Geometry & MOs

Info

ID:	153654
PubChem CID:	56312940
Reduced:	SN2O2C12H12 (2)
Stoich.:	AB2C2D12E12 (2)
Weight, g/mol:	445.155018
ΔH_f, kcal/mol:	-83.06
Dipole, Da:	4.88
IP(EA), eV:	-8.43(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enehydrazide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O

DOS

IR

Vibrations