Geometry & MOs

Info

ID:	64674
PubChem CID:	29203836
Reduced:	O2S2N3C19H21 (1)
Stoich.:	A2B2C3D19E21 (1)
Weight, g/mol:	481.134128
ΔH_f, kcal/mol:	-48.73
Dipole, Da:	1.71
IP(EA), eV:	-8.91(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethylsulfonyl-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(SC2=C1C(=O)N(C(=N2)S[C@H](C)C(=O)N)C3=CC=CC(=C3)C)C

DOS

IR

Vibrations