Geometry & MOs

Info

ID:	235752
PubChem CID:	92710553
Reduced:	ClSN3O4C23H26 (1)
Stoich.:	ABC3D4E23F26 (1)
Weight, g/mol:	469.203528
ΔH_f, kcal/mol:	-150.31
Dipole, Da:	6.56
IP(EA), eV:	-9.19(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-acetyl-N-[2-(4-methylphenyl)ethyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)[C@@H]2CC3=C(N2C(=O)C)C=CC(=C3)S(=O)(=O)N4CCCCC4)Cl

DOS

IR

Vibrations