Geometry & MOs

Info

ID:	158819
PubChem CID:	56479430
Reduced:	SN4O4C23H30 (1)
Stoich.:	AB4C4D23E30 (1)
Weight, g/mol:	458.231791
ΔH_f, kcal/mol:	-139.66
Dipole, Da:	7.88
IP(EA), eV:	-9.1(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-3-[[1-(2-phenylmethoxypyridine-4-carbonyl)piperidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC(=O)NC3=NC=CC(=C3)C)C

DOS

IR

Vibrations