Geometry & MOs

Info

ID:

44829

PubChem CID:

10506076

Reduced:

O4N5C29H35 (1)

Stoich.:

A4B5C29D35 (1)

Weight, g/mol:

517.224657

ΔHf, kcal/mol:

-85.49

Dipole, Da:

6.3

IP(EA), eV:

 -8.97(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (3R,4S)-3-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decane-4-carbonyl]-4-(2-phenylmethoxyethyl)-3,4-dihydropyrazole-2-carboxylate

Drug info:

PubChemData

Smile

CC(CCCCN1C=NC2=C1NC=NCC2O)(C(=O)NCCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations