Geometry & MOs

Info

ID:

418263

PubChem CID:

135104026

Reduced:

SN7O7C37H49 (1)

Stoich.:

AB7C7D37E49 (1)

Weight, g/mol:

413.162057

ΔHf, kcal/mol:

-234.31

Dipole, Da:

8.51

IP(EA), eV:

 -9.0(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-methoxy-5-sulfamoylbenzamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N1)CC3=CC=CC=C3)CC4=C(C(=CC=C4)OC)OC)C)C)C(C)C

DOS

IR

Vibrations