Geometry & MOs

Info

ID:	49969
PubChem CID:	11538511
Reduced:	SN2O3C22H24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	396.12407
ΔH_f, kcal/mol:	-85.09
Dipole, Da:	5.69
IP(EA), eV:	-8.73(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R)-3-[(4-chlorophenyl)-methylcarbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2=O)NC4=CC=CC=C34

DOS

IR

Vibrations