Geometry & MOs

Info

ID:

309396

PubChem CID:

126545970

Reduced:

N6H26C29 (1)

Stoich.:

A6B26C29 (1)

Weight, g/mol:

728.231697

ΔHf, kcal/mol:

180.95

Dipole, Da:

2.6

IP(EA), eV:

 -8.43(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[11-[4-[2-[amino-[(E)-2-amino-2-chloroethenyl]amino]-5-chlorophenyl]-6-oxopyrimidin-1-yl]-4-oxo-2,5-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-3-yl]ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CN2C1CCC3C4=C(C=CC(=C4)C#N)N5C=CN6C5C3(CC6)C(=C)C7=C2C=CC(=C7)C#N

DOS

IR

Vibrations