Geometry & MOs

Info

ID:

423626

PubChem CID:

135119868

Reduced:

O7N8C39H50 (1)

Stoich.:

A7B8C39D50 (1)

Weight, g/mol:

385.086305

ΔHf, kcal/mol:

-251.13

Dipole, Da:

7.02

IP(EA), eV:

 -9.63(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-chloro-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)NC(=O)C4=CN(N=C4)CC5=CC=CC=C5)O

DOS

IR

Vibrations