Geometry & MOs

Info

ID:

414897

PubChem CID:

135087869

Reduced:

N3O5C21H31 (1)

Stoich.:

A3B5C21D31 (1)

Weight, g/mol:

662.336273

ΔHf, kcal/mol:

-241.83

Dipole, Da:

2.35

IP(EA), eV:

 -9.04(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,13S,19S)-4-benzyl-7-methyl-15-(1-methylcyclopropanecarbonyl)-19-(2-methylpropyl)-13-propan-2-yl-21-thia-3,6,8,9,12,15,18,23-octazatricyclo[18.2.1.05,9]tricosa-1(22),5,7,20(23)-tetraene-2,11,17-trione

Drug info:

PubChemData

Smile

CCCC(=O)N[C@@]1(CCOC2([C@H]1O)CCN(CC2)C(=O)C3=CC=C(NC3=O)C)C

DOS

IR

Vibrations