Geometry & MOs

Info

ID:	32740
PubChem CID:	7847673
Reduced:	BrClNO2H13C15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	379.084676
ΔH_f, kcal/mol:	-40.73
Dipole, Da:	1.4
IP(EA), eV:	-9.38(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)OCC(=O)NCC2=CC=C(C=C2)Cl)Br

DOS

IR

Vibrations