Geometry & MOs

Info

ID:	155371
PubChem CID:	56352993
Reduced:	N3O4C26H31 (1)
Stoich.:	A3B4C26D31 (1)
Weight, g/mol:	472.160283
ΔH_f, kcal/mol:	-96.95
Dipole, Da:	7.62
IP(EA), eV:	-8.85(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2(CCOCC2)CNC(=O)C3=NN(C(C3)C(=O)C)C4=CC=CC=C4

DOS

IR

Vibrations