Geometry & MOs

Info

ID:

57438

PubChem CID:

22395927

Reduced:

SCl2N4O5C25H26 (1)

Stoich.:

AB2C4D5E25F26 (1)

Weight, g/mol:

885.182456

ΔHf, kcal/mol:

-156.28

Dipole, Da:

9.53

IP(EA), eV:

 -9.22(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carbonyl]-[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-naphthalen-2-ylpropanoic acid

Drug info:

PubChemData

Smile

CC1(CCCN1S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)NC(CC3=CN(C=N3)CC4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations