Geometry & MOs

Info

ID:	37832
PubChem CID:	8024944
Reduced:	S2O3N5C17H19 (1)
Stoich.:	A2B3C5D17E19 (1)
Weight, g/mol:	404.170454
ΔH_f, kcal/mol:	-55.88
Dipole, Da:	8.91
IP(EA), eV:	-8.98(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC2=NN=C(S2)SCC(=O)NC(=O)CN3CCCC3=O

DOS

IR

Vibrations