Geometry & MOs

Info

ID:	36783
PubChem CID:	8012639
Reduced:	ON2S2H20C24 (1)
Stoich.:	AB2C2D20E24 (1)
Weight, g/mol:	352.156912
ΔH_f, kcal/mol:	74.09
Dipole, Da:	5.31
IP(EA), eV:	-8.83(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2S)-2-methylcyclohexyl]-2-[[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)N(C2=CC=CC=C2)C(=O)[C@H](C3=CC=CC=C3)SC4=CC=CC=C4

DOS

IR

Vibrations