Geometry & MOs

Info

ID:

54147

PubChem CID:

14720397

Reduced:

SN2O6C18H28 (1)

Stoich.:

AB2C6D18E28 (1)

Weight, g/mol:

823.382614

ΔHf, kcal/mol:

-267.91

Dipole, Da:

7.86

IP(EA), eV:

 -9.94(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[2-[[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)O)NC(=O)OCC(C)C

DOS

IR

Vibrations