Geometry & MOs

Info

ID:

219949

PubChem CID:

85165077

Reduced:

N3S3O7C28H35 (1)

Stoich.:

A3B3C7D28E35 (1)

Weight, g/mol:

621.290629

ΔHf, kcal/mol:

-263.48

Dipole, Da:

6.53

IP(EA), eV:

 -8.8(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[3-[2-[(1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl)carbamoyl]-4-(2-methoxyphenyl)pyrrolidin-1-yl]prop-1-enyl]-2,2-dimethyl-1,3-thiazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)CCC2=CC3=C(S2)SC(=C3)C(=O)NCC(C(=O)O)NS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations