Geometry & MOs

Info

ID:

169031

PubChem CID:

75057617

Reduced:

SCl2N4O4H22C23 (1)

Stoich.:

AB2C4D4E22F23 (1)

Weight, g/mol:

540.078967

ΔHf, kcal/mol:

-87.81

Dipole, Da:

6.26

IP(EA), eV:

 -8.77(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]-4-(naphthalen-1-ylmethyl)-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(N1)C(=O)NC2C3C2CN(C3)C4=NC(=C(S4)C(=O)O)CC5=CC=CC=C5OC)Cl)Cl

DOS

IR

Vibrations