Geometry & MOs

Info

ID:	34410
PubChem CID:	7891233
Reduced:	N2O3C9H9 (2)
Stoich.:	A2B3C9D9 (2)
Weight, g/mol:	414.154804
ΔH_f, kcal/mol:	-130.42
Dipole, Da:	5.44
IP(EA), eV:	-9.12(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

DOS

IR

Vibrations