Geometry & MOs

Info

ID:

186645

PubChem CID:

77460477

Reduced:

SN6O7C41H58 (1)

Stoich.:

AB6C7D41E58 (1)

Weight, g/mol:

598.228363

ΔHf, kcal/mol:

-254.04

Dipole, Da:

4.07

IP(EA), eV:

 -9.55(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[2-[[4-[2-(3-amino-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]ethyl]piperidin-4-yl]acetic acid

Drug info:

PubChemData

Smile

CC1(C2(C13CC(N(C3)C(=O)C(C(C)(C)C)NC(=O)C(C4CCCCC4)NC(=O)C5=CC=CC=N5)C(=O)NC6(CC6C=C)C(=O)NS(=O)(=O)C7CC7)CCC2)C

DOS

IR

Vibrations