Geometry & MOs

Info

ID:	132086
PubChem CID:	51304260
Reduced:	ClSO2N4C16H19 (1)
Stoich.:	ABC2D4E16F19 (1)
Weight, g/mol:	331.135448
ΔH_f, kcal/mol:	-11.88
Dipole, Da:	4.15
IP(EA), eV:	-8.95(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-oxoazepan-3-yl)sulfanyl-3-propan-2-ylquinazolin-4-one

Drug info:

PubChemData

Smile

CN1C(=NN=C1SC2CCCCNC2=O)COC3=CC=CC=C3Cl

DOS

IR

Vibrations