Geometry & MOs

Info

ID:	37830
PubChem CID:	8024940
Reduced:	OS2N4C15H18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	334.092204
ΔH_f, kcal/mol:	40.53
Dipole, Da:	5.27
IP(EA), eV:	-8.64(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC2=NN=C(S2)S[C@@H](C)C(=O)NC3CC3

DOS

IR

Vibrations