Geometry & MOs

Info

ID:	34403
PubChem CID:	7891159
Reduced:	N4O6H16C17 (1)
Stoich.:	A4B6C16D17 (1)
Weight, g/mol:	387.071134
ΔH_f, kcal/mol:	-139.01
Dipole, Da:	9.75
IP(EA), eV:	-9.22(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydroxyphenyl)-2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

DOS

IR

Vibrations