Geometry & MOs

Info

ID:	192510
PubChem CID:	78279258
Reduced:	SN3O9H21C24 (1)
Stoich.:	AB3C9D21E24 (1)
Weight, g/mol:	388.105705
ΔH_f, kcal/mol:	-156.42
Dipole, Da:	11.09
IP(EA), eV:	-9.18(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butan-2-yl-2-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC(N(N2)C(=O)COC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C4=CC=CO4

DOS

IR

Vibrations