Geometry & MOs

Info

ID:	61272
PubChem CID:	26707732
Reduced:	FSN3O3C21H26 (1)
Stoich.:	ABC3D3E21F26 (1)
Weight, g/mol:	474.193691
ΔH_f, kcal/mol:	-131.16
Dipole, Da:	9.83
IP(EA), eV:	-8.85(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[4-[[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]carbamoyl]phenyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N(C)C)F

DOS

IR

Vibrations