Geometry & MOs

Info

ID:	234856
PubChem CID:	92303610
Reduced:	FSN2O2H21C24 (1)
Stoich.:	ABC2D2E21F24 (1)
Weight, g/mol:	387.165034
ΔH_f, kcal/mol:	-64.89
Dipole, Da:	2.89
IP(EA), eV:	-8.97(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-[[5-[[(3S)-3,5,5-trimethylhexanoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2[C@@H](SCC2=O)C3=CC=CC=C3NC(=O)C4=CC(=CC=C4)F)C

DOS

IR

Vibrations