Geometry & MOs

Info

ID:	135486
PubChem CID:	51879128
Reduced:	ClSO2N4C18H23 (1)
Stoich.:	ABC2D4E18F23 (1)
Weight, g/mol:	402.045431
ΔH_f, kcal/mol:	-13.68
Dipole, Da:	6.2
IP(EA), eV:	-9.2(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-cyclopropyl-2-[[5-[4-(difluoromethylsulfanyl)anilino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1CC1)SC2=NN=C(N2CCCOC)C3=CC=CC=C3Cl

DOS

IR

Vibrations