Geometry & MOs

Info

ID:

443123

PubChem CID:

135257774

Reduced:

SN2F5O8H29C31 (1)

Stoich.:

AB2C5D8E29F31 (1)

Weight, g/mol:

678.341735

ΔHf, kcal/mol:

-503.4

Dipole, Da:

9.36

IP(EA), eV:

 -9.59(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 4-[(5-cyclohexylpyrazin-2-yl)methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]-2-phenylmethoxybenzoate

Drug info:

PubChemData

Smile

CN([C@H](CC(=O)O)C(=O)N(CC1=CC=C(C=C1)C2CCCCC2)C3=CC(=C(C=C3)C(=O)O)O)S(=O)(=O)C4=C(C(=C(C(=C4F)F)F)F)F

DOS

IR

Vibrations