Geometry & MOs

Info

ID:	303368
PubChem CID:	124489580
Reduced:	SN3O5H19C20 (1)
Stoich.:	AB3C5D19E20 (1)
Weight, g/mol:	441.172228
ΔH_f, kcal/mol:	-128.74
Dipole, Da:	6.13
IP(EA), eV:	-8.72(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclohexen-1-yl)ethyl]-2-[(4R)-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)NCC4=CC=CO4

DOS

IR

Vibrations