Geometry & MOs

Info

ID:

214560

PubChem CID:

85083192

Reduced:

ClSN2O5H25C29 (1)

Stoich.:

ABC2D5E25F29 (1)

Weight, g/mol:

549.262105

ΔHf, kcal/mol:

-98.52

Dipole, Da:

3.99

IP(EA), eV:

 -9.46(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(1-methylcyclopentyl)-1-[(7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)O)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)CCl

DOS

IR

Vibrations