Geometry & MOs

Info

ID:	234908
PubChem CID:	92303696
Reduced:	SN2O2H24C25 (1)
Stoich.:	AB2C2D24E25 (1)
Weight, g/mol:	421.149384
ΔH_f, kcal/mol:	-27.67
Dipole, Da:	5.81
IP(EA), eV:	-8.8(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[5-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,5,5-trimethylhexanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)[C@H]3N(C(=O)CS3)C4=CC=CC(=C4)C

DOS

IR

Vibrations