Geometry & MOs

Info

ID:	363406
PubChem CID:	127310944
Reduced:	ClSO2N3C18H28 (1)
Stoich.:	ABC2D3E18F28 (1)
Weight, g/mol:	389.213698
ΔH_f, kcal/mol:	-65.55
Dipole, Da:	3.55
IP(EA), eV:	-8.66(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-oxo-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]-1,5,6,7-tetrahydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1CCC(=O)NCC2(CCCCC2)N3CCSCC3)Cl

DOS

IR

Vibrations