Geometry & MOs

Info

ID:

449674

PubChem CID:

135300518

Reduced:

N9O14C47H75 (1)

Stoich.:

A9B14C47D75 (1)

Weight, g/mol:

521.233937

ΔHf, kcal/mol:

-639.37

Dipole, Da:

9.6

IP(EA), eV:

 -9.02(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[5-[(3Z)-3-[4-(2-fluorophenyl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]amino]-3,3-dimethylbutan-1-ol

Drug info:

PubChemData

Smile

CC(C)C(=O)[C@H](CC1=CC=C(C=C1)/C(=N/OCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCC(=O)O)/C)N

DOS

IR

Vibrations