Geometry & MOs

Info

ID:

149405

PubChem CID:

53789078

Reduced:

SiO2N8C32H53 (1)

Stoich.:

AB2C8D32E53 (1)

Weight, g/mol:

647.368284

ΔHf, kcal/mol:

-34.24

Dipole, Da:

5.39

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.751852

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[3,4-dihydroxy-5-[[(2S)-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CCC2C(C1)C3NC4C5CCCCC5C(N4)NC6C7CC(C(C(C7C(N6)NC8=C9CCCCC9C(N8)NC2N3)[Si])O)O

DOS

IR

Vibrations