Geometry & MOs

Info

ID:

162624

PubChem CID:

57410796

Reduced:

O6N8C43H50 (1)

Stoich.:

A6B8C43D50 (1)

Weight, g/mol:

454.196252

ΔHf, kcal/mol:

-177.29

Dipole, Da:

2.69

IP(EA), eV:

 -8.58(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4,4-difluorocyclohexyl)methyl]-N-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-sulfonamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)OC(C)(C)C)NC(=O)OC

DOS

IR

Vibrations