Geometry & MOs

Info

ID:	141326
PubChem CID:	52861243
Reduced:	SN5O5C21H21 (1)
Stoich.:	AB5C5D21E21 (1)
Weight, g/mol:	395.257277
ΔH_f, kcal/mol:	-90.2
Dipole, Da:	4.25
IP(EA), eV:	-9.39(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3S)-1-[(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl]piperidin-3-yl]methyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=CC=C2N3C(=C(C=N3)C#N)N)OCCCC(=O)O

DOS

IR

Vibrations