Geometry & MOs

Info

ID:	303370
PubChem CID:	124489586
Reduced:	SN3O4C23H27 (1)
Stoich.:	AB3C4D23E27 (1)
Weight, g/mol:	451.156577
ΔH_f, kcal/mol:	-131.58
Dipole, Da:	7.18
IP(EA), eV:	-8.68(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethyl-6-methylphenyl)-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