Geometry & MOs

Info

ID:	155619
PubChem CID:	56366346
Reduced:	ClOSF2N2H11C17 (1)
Stoich.:	ABCD2E2F11G17 (1)
Weight, g/mol:	483.083111
ΔH_f, kcal/mol:	-55.52
Dipole, Da:	3.89
IP(EA), eV:	-9.31(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C/C(=O)NC2=C(C(=CC=C2)Cl)SC(F)F)C#N

DOS

IR

Vibrations