Geometry & MOs

Info

ID:

180117

PubChem CID:

76581398

Reduced:

N4O8C27H44 (1)

Stoich.:

A4B8C27D44 (1)

Weight, g/mol:

678.420379

ΔHf, kcal/mol:

-366.22

Dipole, Da:

2.28

IP(EA), eV:

 -9.59(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[2-acetyloxy-2-[4,4,19,19-tetramethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,16-dioxo-1,15-diazatricyclo[15.4.0.018,20]henicosan-14-yl]acetyl]amino]acetate

Drug info:

PubChemData

Smile

CC(C)COC(=O)NC(CCC=C)C(=O)N1CCCC1C(=O)NC(CCCC=C)C(C(=O)NCC(=O)OC)O

DOS

IR

Vibrations