Geometry & MOs

Info

ID:

214696

PubChem CID:

85083426

Reduced:

ClSN4O4C30H31 (1)

Stoich.:

ABC4D4E30F31 (1)

Weight, g/mol:

578.177284

ΔHf, kcal/mol:

-59.16

Dipole, Da:

9.5

IP(EA), eV:

 -9.18(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[[1-[(2,4-dichlorophenyl)methyl]-4-thiophen-3-ylpyrrolidin-3-yl]methyl]-3,14-dioxa-11-azadispiro[5.1.58.26]pentadecane-15-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N(C)C2=CC=CC=C2C#CC(=O)NC(CC3=CC=NC=C3)C(=O)N4CCCC4

DOS

IR

Vibrations