Geometry & MOs

Info

ID:

429945

PubChem CID:

135170000

Reduced:

IOSN5H16C23 (1)

Stoich.:

ABCD5E16F23 (1)

Weight, g/mol:

485.110645

ΔHf, kcal/mol:

114.39

Dipole, Da:

4.27

IP(EA), eV:

 -9.16(-2.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[(3Z,4Z)-3-(aminomethylidene)-5,5,5-trifluoro-4-([1,3]thiazolo[5,4-d]pyrimidin-7-ylimino)pent-1-en-2-yl]amino]-2-[(Z)-2-iminoethylideneamino]diazepine-4-carbonitrile

Drug info:

PubChemData

Smile

CNC(=O)C1=CC2=C(N=C1)N(C=C2C3=CC4=C(C=CN=C4C=C3)C5=CN=CC=C5)SI

DOS

IR

Vibrations