Geometry & MOs

Info

ID:

168786

PubChem CID:

75018649

Reduced:

S2N5O6C36H45 (1)

Stoich.:

A2B5C6D36E45 (1)

Weight, g/mol:

722.415569

ΔHf, kcal/mol:

-197.37

Dipole, Da:

5.48

IP(EA), eV:

 -9.06(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

pyridin-3-ylmethyl N-[5-[[2-[[(6-tert-butylpyridin-2-yl)methyl-methylcarbamoyl]amino]-3-methylbutanoyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)C1=CSC(=N1)COC(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)C(CC(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O

DOS

IR

Vibrations