Geometry & MOs

Info

ID:

54149

PubChem CID:

14720400

Reduced:

SN5O10C42H57 (1)

Stoich.:

AB5C10D42E57 (1)

Weight, g/mol:

795.3877

ΔHf, kcal/mol:

-335.05

Dipole, Da:

6.45

IP(EA), eV:

 -8.65(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[6-hydroxy-5-[[2-[[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)NCCCC[C@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCCNC(=O)OCC3=CC=CC=C3)C(=O)OC)NC(=O)OCC(C)C

DOS

IR

Vibrations