Geometry & MOs

Info

ID:

226459

PubChem CID:

87457422

Reduced:

FN3O3C25H28 (1)

Stoich.:

AB3C3D25E28 (1)

Weight, g/mol:

1160.366988

ΔHf, kcal/mol:

-57.0

Dipole, Da:

2.49

IP(EA), eV:

 -8.77(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[5-chloro-2-[[3-(1,3-difluoropropan-2-yl)-7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-8-yl]amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

COC1CN(C1)CCC[C@@]2(C3COC4=C(N3N=C2CC=O)C=C(C=C4)F)C5=CC=CC=C5

DOS

IR

Vibrations