Geometry & MOs

Info

ID:

7580

PubChem CID:

73444

Reduced:

N5O7C30H51 (1)

Stoich.:

A5B7C30D51 (1)

Weight, g/mol:

593.378849

ΔHf, kcal/mol:

-359.97

Dipole, Da:

9.26

IP(EA), eV:

 -9.23(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,10R,13S,16S,19S)-16-[(2S)-butan-2-yl]-10,11,14-trimethyl-3-(2-methylpropyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone

Drug info:

PubChemData

Smile

CC[C@H](C)[C@H]1C(=O)N([C@H](C(=O)N([C@@H](C(=O)NCCC(=O)O[C@@H](C(=O)N2CCC[C@H]2C(=O)N1)CC(C)C)C)C)C(C)C)C

DOS

IR

Vibrations