Geometry & MOs

Info

ID:	33290
PubChem CID:	7885850
Reduced:	SO2N4H14C18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	374.11227
ΔH_f, kcal/mol:	14.81
Dipole, Da:	0.31
IP(EA), eV:	-8.87(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-2-oxocyclohexyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=C2C(=O)N(C=N3)CC(=O)NC4=CC=CC=C4C#N

DOS

IR

Vibrations