Geometry & MOs

Info

ID:	178575
PubChem CID:	76351837
Reduced:	SO2N5C22H25 (1)
Stoich.:	AB2C5D22E25 (1)
Weight, g/mol:	423.061982
ΔH_f, kcal/mol:	37.58
Dipole, Da:	4.43
IP(EA), eV:	-8.35(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-4-(4-oxo-4aH-quinazolin-2-yl)butanamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2=CC(=CC=C2)C(=NOCC(=O)NC3=CC(=CC=C3)SC)N)C

DOS

IR

Vibrations