Geometry & MOs

Info

ID:

334519

PubChem CID:

127253194

Reduced:

N5O6C33H43 (1)

Stoich.:

A5B6C33D43 (1)

Weight, g/mol:

367.16444

ΔHf, kcal/mol:

-164.71

Dipole, Da:

6.9

IP(EA), eV:

 -8.48(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-oxo-3-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]propyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NC1=C(N(N=C1C)C)C)NC2=CC=C3C(=CC2=O)[C@H](CCC4=CC(=C(C(=C43)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations