Geometry & MOs

Info

ID:

219271

PubChem CID:

85098340

Reduced:

N3S6O7H23C25 (1)

Stoich.:

A3B6C7D23E25 (1)

Weight, g/mol:

669.392391

ΔHf, kcal/mol:

-184.29

Dipole, Da:

3.45

IP(EA), eV:

 -8.99(-1.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[1-[(1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-methylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1C(=O)N(C(=S)S1)CCOC(=O)CCC(C(=O)OCCN2C(=O)CSC2=S)N3C(=O)C(=CC4=CC=CC=C4)SC3=S

DOS

IR

Vibrations