Geometry & MOs

Info

ID:

54150

PubChem CID:

14720401

Reduced:

SN5O9C41H57 (1)

Stoich.:

AB5C9D41E57 (1)

Weight, g/mol:

795.3877

ΔHf, kcal/mol:

-387.58

Dipole, Da:

6.91

IP(EA), eV:

 -9.4(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(5S)-6-hydroxy-5-[[(2S)-2-[[(2R)-6-[(4-methylphenyl)sulfonylamino]-2-(2-methylpropoxycarbonylamino)hexanoyl]amino]-3-phenylpropanoyl]amino]hexyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCCCCC(C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCCNC(=O)OCC3=CC=CC=C3)CO)NC(=O)OCC(C)C

DOS

IR

Vibrations