Geometry & MOs

Info

ID:	244959
PubChem CID:	99431668
Reduced:	SO2N3C21H33 (1)
Stoich.:	AB2C3D21E33 (1)
Weight, g/mol:	390.205576
ΔH_f, kcal/mol:	-108.49
Dipole, Da:	4.21
IP(EA), eV:	-8.48(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(3S)-1-(1H-indole-6-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)CCSCC(C)C

DOS

IR

Vibrations