Geometry & MOs

Info

ID:	34405
PubChem CID:	7891163
Reduced:	NO4H21C22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	397.128255
ΔH_f, kcal/mol:	-125.93
Dipole, Da:	5.9
IP(EA), eV:	-8.81(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-ethylphenyl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=C(C3=CC=CC=C3C=C2)O

DOS

IR

Vibrations