Geometry & MOs

Info

ID:

179173

PubChem CID:

76445479

Reduced:

N8O9C57H102 (1)

Stoich.:

A8B9C57D102 (1)

Weight, g/mol:

900.629978

ΔHf, kcal/mol:

-536.93

Dipole, Da:

2.98

IP(EA), eV:

 -8.38(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-amino-2-[[2-[[2-[[6-amino-2-[[4-oxo-4-[[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]butanoyl]amino]hexanoyl]amino]acetyl]amino]acetyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)CCC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O)C

DOS

IR

Vibrations