Geometry & MOs

Info

ID:	29283
PubChem CID:	832790
Reduced:	N2O5H16C17 (1)
Stoich.:	A2B5C16D17 (1)
Weight, g/mol:	269.065654
ΔH_f, kcal/mol:	-138.48
Dipole, Da:	2.83
IP(EA), eV:	-8.92(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylpiperazine-1-carbothioyl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC(=O)NNC(=O)C2=CC=CC=C2C(=O)O

DOS

IR

Vibrations