Geometry & MOs

Info

ID:	136679
PubChem CID:	52084380
Reduced:	NOSC10H21 (1)
Stoich.:	ABCD10E21 (1)
Weight, g/mol:	445.008839
ΔH_f, kcal/mol:	-83.44
Dipole, Da:	2.63
IP(EA), eV:	-8.64(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S)-N-(3-benzylsulfonyl-1,2,4-thiadiazol-5-yl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CCCCC(=O)NCCSCCC

DOS

IR

Vibrations