Geometry & MOs

Info

ID:	351158
PubChem CID:	127279716
Reduced:	SO2N4C12H14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	391.156577
ΔH_f, kcal/mol:	1.29
Dipole, Da:	7.26
IP(EA), eV:	-9.34(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexylsulfonyl-3-methyl-N-(4-oxo-1H-quinazolin-6-yl)butanamide

Drug info:

PubChemData

Smile

C1COCC1CN2C(=CC=N2)NC(=O)C3=CSC=N3

DOS

IR

Vibrations