Geometry & MOs

Info

ID:

180118

PubChem CID:

76581399

Reduced:

N4O9C35H58 (1)

Stoich.:

A4B9C35D58 (1)

Weight, g/mol:

650.389079

ΔHf, kcal/mol:

-419.51

Dipole, Da:

3.15

IP(EA), eV:

 -9.35(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[2-acetyloxy-2-[19,19-dimethyl-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(=O)OC(C1CCCCCCCCCC(C(C(=O)N2CC3C(C2C(=O)N1)C3(C)C)NC(=O)OC(C)(C)C)(C)C)C(=O)NCC(=O)OC

DOS

IR

Vibrations