Geometry & MOs

Info

ID:

420850

PubChem CID:

135114925

Reduced:

N6O8C35H46 (1)

Stoich.:

A6B8C35D46 (1)

Weight, g/mol:

390.124943

ΔHf, kcal/mol:

-318.88

Dipole, Da:

4.59

IP(EA), eV:

 -9.01(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)C3=CC4=C(C=C3)NC(=O)CO4)C(C)C

DOS

IR

Vibrations