Geometry & MOs

Info

ID:

298630

PubChem CID:

117652677

Reduced:

FSO4N5C30H32 (1)

Stoich.:

ABC4D5E30F32 (1)

Weight, g/mol:

617.258437

ΔHf, kcal/mol:

-99.4

Dipole, Da:

12.04

IP(EA), eV:

 -8.69(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-1-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridin-3-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)N(CCOC)CC1=CC=C(C=C1)C2=CC3=NC=CC(=C3S2)OC4=C(C=C(C=C4)N(C5CC5)C(=O)N)F

DOS

IR

Vibrations