Geometry & MOs

Info

ID:	32426
PubChem CID:	7815879
Reduced:	OSN5H19C20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	348.161997
ΔH_f, kcal/mol:	63.77
Dipole, Da:	4.57
IP(EA), eV:	-9.16(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN=C(N2C)S[C@@H](C)C3=NC(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations