Geometry & MOs

Info

ID:

422224

PubChem CID:

135117437

Reduced:

O7N9C35H47 (1)

Stoich.:

A7B9C35D47 (1)

Weight, g/mol:

653.390082

ΔHf, kcal/mol:

-251.91

Dipole, Da:

5.35

IP(EA), eV:

 -8.88(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-ethyl-N-[(10S,18S)-8-methyl-10-(2-methylpropyl)-4,9,12,17-tetraoxo-2-oxa-5,8,11,16-tetrazabicyclo[18.2.2]tetracosa-1(22),20,23-trien-18-yl]-5-(2-methylpropyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)NC(=O)C4=C5N(C=CN5N=C4)C)O

DOS

IR

Vibrations