Geometry & MOs

Info

ID:

419123

PubChem CID:

135107542

Reduced:

NOC6H7 (3)

Stoich.:

ABC6D7 (3)

Weight, g/mol:

758.363927

ΔHf, kcal/mol:

-107.49

Dipole, Da:

8.06

IP(EA), eV:

 -9.41(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3S,6S,9R,12S,18S,20R)-9-benzyl-20-hydroxy-3-methyl-6-(2-methylpropyl)-2,5,8,11,17-pentaoxo-1,4,7,10,16-pentazabicyclo[16.3.0]henicosan-12-yl]-5-(4-methoxyphenyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1)C(=O)N2C[C@H]([C@H](C2)O)CC3=CC=NC=C3)C

DOS

IR

Vibrations