Geometry & MOs

Info

ID:	122807
PubChem CID:	50822547
Reduced:	SO3N5C26H35 (1)
Stoich.:	AB3C5D26E35 (1)
Weight, g/mol:	415.192963
ΔH_f, kcal/mol:	-67.26
Dipole, Da:	10.26
IP(EA), eV:	-9.01(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[1-(benzenesulfonyl)piperidin-4-yl]ethyl]-3-(2-ethylphenyl)urea

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=NC4=C(N3C)C=CC(=C4)C(=O)N(C)C

DOS

IR

Vibrations