Geometry & MOs

Info

ID:	303369
PubChem CID:	124489585
Reduced:	SN3O4C23H27 (1)
Stoich.:	AB3C4D23E27 (1)
Weight, g/mol:	441.172228
ΔH_f, kcal/mol:	-132.54
Dipole, Da:	6.22
IP(EA), eV:	-8.57(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclohexen-1-yl)ethyl]-2-[(4S)-4-(4-methylsulfanylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)[C@@H]2C3=C(COC3=O)N(C(=O)N2)CC(=O)NCCC4=CCCCC4

DOS

IR

Vibrations