Geometry & MOs

Info

ID:	271625
PubChem CID:	103686077
Reduced:	SN2O2H14C16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	298.008199
ΔH_f, kcal/mol:	-7.6
Dipole, Da:	3.4
IP(EA), eV:	-9.39(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-2-thiophen-3-ylethyl)-5-nitrothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=C2)C(=O)NCC(C3=CSC=C3)O)N=C1

DOS

IR

Vibrations