Geometry & MOs

Info

ID:	58159
PubChem CID:	24424456
Reduced:	SO2N3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	308.094312
ΔH_f, kcal/mol:	-22.23
Dipole, Da:	4.17
IP(EA), eV:	-8.68(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-nitrophenyl)carbamothioyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)N

DOS

IR

Vibrations