Geometry & MOs

Info

ID:	148800
PubChem CID:	53788469
Reduced:	Cl2N3O4C35H37 (1)
Stoich.:	A2B3C4D35E37 (1)
Weight, g/mol:	432.031348
ΔH_f, kcal/mol:	-96.0
Dipole, Da:	1.49
IP(EA), eV:	-8.49(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[1-(3,5-dichlorophenyl)sulfonylpyrrole-2-carbonyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CC1=NC(=C(C(C1C(=O)OC)C2=C(C(=CC=C2)Cl)Cl)C(=O)OCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

DOS

IR

Vibrations