Geometry & MOs

Info

ID:	187212
PubChem CID:	77545167
Reduced:	SN3O4C22H27 (1)
Stoich.:	AB3C4D22E27 (1)
Weight, g/mol:	656.241993
ΔH_f, kcal/mol:	-154.72
Dipole, Da:	10.87
IP(EA), eV:	-9.0(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-2-[4-[2-(3-methoxypropyl)-4-oxopiperidin-3-yl]-2-methylphenyl]propyl]carbamic acid

Drug info:

PubChemData

Smile

CCC(C(=O)O)N1C(=O)C2CCC(CC2NC1=O)CC3=C4C(=CC(=CC4=NS3)C)C

DOS

IR

Vibrations