Geometry & MOs

Info

ID:	156161
PubChem CID:	56369364
Reduced:	BrO2S2N4C18H19 (1)
Stoich.:	AB2C2D4E18F19 (1)
Weight, g/mol:	414.194343
ΔH_f, kcal/mol:	-14.9
Dipole, Da:	4.32
IP(EA), eV:	-8.71(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NC2=NC(=C(S2)C)C3=CC=C(S3)CNC(=O)C)Br

DOS

IR

Vibrations