Geometry & MOs

Info

ID:	245231
PubChem CID:	99437980
Reduced:	N4O5C27H34 (1)
Stoich.:	A4B5C27D34 (1)
Weight, g/mol:	484.214427
ΔH_f, kcal/mol:	-180.14
Dipole, Da:	3.2
IP(EA), eV:	-8.07(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-3-[[(3R)-1-[2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetyl]piperidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NC[C@@H]2CCCN(C2)C(=O)[C@@H]3CC(=O)N(C3)C4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations