Geometry & MOs

Info

ID:

54148

PubChem CID:

14720399

Reduced:

SN5O10C42H57 (1)

Stoich.:

AB5C10D42E57 (1)

Weight, g/mol:

823.382614

ΔHf, kcal/mol:

-413.25

Dipole, Da:

8.37

IP(EA), eV:

 -9.57(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[(2S)-2-[[(2R)-6-[(4-methylphenyl)sulfonylamino]-2-(2-methylpropoxycarbonylamino)hexanoyl]amino]-3-phenylpropanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate

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)C(=O)OC)NC(=O)OCC(C)C

DOS

IR

Vibrations