Geometry & MOs

Info

ID:	345866
PubChem CID:	127270166
Reduced:	O2S2N3C19H23 (1)
Stoich.:	A2B2C3D19E23 (1)
Weight, g/mol:	399.198048
ΔH_f, kcal/mol:	-54.48
Dipole, Da:	3.82
IP(EA), eV:	-8.89(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-indol-3-yl)-N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]propanamide

Drug info:

PubChemData

Smile

C1CC(CCC1C(=O)N2CCSCC2)NC(=O)C3=CC4=C(C=C3)N=CS4

DOS

IR

Vibrations