Geometry & MOs

Info

ID:	142662
PubChem CID:	53072930
Reduced:	SN4O4C24H26 (1)
Stoich.:	AB4C4D24E26 (1)
Weight, g/mol:	431.151492
ΔH_f, kcal/mol:	-115.57
Dipole, Da:	3.37
IP(EA), eV:	-8.8(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[6-(4-methylphenyl)sulfonylpyridine-3-carbonyl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=C(S3)N=CC=C4)N(C2=O)CC(=O)NCCC(C)C

DOS

IR

Vibrations