Geometry & MOs

Info

ID:	235044
PubChem CID:	92303939
Reduced:	SN2O2C23H28 (1)
Stoich.:	AB2C2D23E28 (1)
Weight, g/mol:	397.104932
ΔH_f, kcal/mol:	-68.19
Dipole, Da:	2.74
IP(EA), eV:	-8.91(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[5-[(3-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,5,5-trimethylhexanamide

Drug info:

PubChemData

Smile

CCCCC(=O)NC1=CC=CC=C1[C@H]2N(C(=O)CS2)C3=CC=CC=C3C(C)C

DOS

IR

Vibrations