Geometry & MOs

Info

ID:	244949
PubChem CID:	99431649
Reduced:	SO3N4C22H28 (1)
Stoich.:	AB3C4D22E28 (1)
Weight, g/mol:	461.279075
ΔH_f, kcal/mol:	-92.43
Dipole, Da:	3.98
IP(EA), eV:	-8.45(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(3S)-1-[1-[2-(dimethylamino)ethyl]indole-3-carbonyl]piperidin-3-yl]methyl]-3-(4-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NC[C@H]2CCCN(C2)C(=O)CN(C)C(=O)C3=CSC=C3

DOS

IR

Vibrations