Geometry & MOs

Info

ID:

57444

PubChem CID:

22395938

Reduced:

SF3N5O7C38H38 (1)

Stoich.:

AB3C5D7E38F38 (1)

Weight, g/mol:

911.232856

ΔHf, kcal/mol:

-386.39

Dipole, Da:

9.04

IP(EA), eV:

 -8.78(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3-(3,4-dimethoxyphenyl)sulfonyl-1,3-thiazolidine-2-carbonyl]-[3-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-1,3-thiazolidine-2-carbonyl]amino]-3-naphthalen-2-ylpropanoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)CC(C(=O)O)NC(=O)C4(CCCN4S(=O)(=O)C5=CC=CC(=C5)C(F)(F)F)C

DOS

IR

Vibrations