Geometry & MOs

Info

ID:

127244

PubChem CID:

50996152

Reduced:

O5N6C41H46 (1)

Stoich.:

A5B6C41D46 (1)

Weight, g/mol:

730.282506

ΔHf, kcal/mol:

-119.12

Dipole, Da:

4.57

IP(EA), eV:

 -8.18(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4S,6S,10S)-14-methyl-9,15-dioxo-10-[(4-phenylphenyl)sulfonylamino]-2-oxa-8,14-diazatricyclo[14.3.1.04,8]icosa-1(19),16(20),17-trien-6-yl]-2-naphthalen-2-ylacetamide

Drug info:

PubChemData

Smile

CN1CCC[C@@H](C(=O)N2C[C@H](C[C@H]2COC3=CC=CC(=C3)C1=O)NC(=O)NC4=CC(=CC=C4)N(C)C)NC(=O)CC5=CC=C(C=C5)C6=CC=CC=C6

DOS

IR

Vibrations