Geometry & MOs

Info

ID:	155630
PubChem CID:	56366447
Reduced:	S2N4O4C19H24 (1)
Stoich.:	A2B4C4D19E24 (1)
Weight, g/mol:	425.041246
ΔH_f, kcal/mol:	-110.9
Dipole, Da:	10.02
IP(EA), eV:	-9.46(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCCC(=O)NCC2=CC=NC=C2)S(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations