Geometry & MOs

Info

ID:

163835

PubChem CID:

74380525

Reduced:

SO3N5C24H27 (1)

Stoich.:

AB3C5D24E27 (1)

Weight, g/mol:

445.16848

ΔHf, kcal/mol:

-29.24

Dipole, Da:

6.7

IP(EA), eV:

 -8.82(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-2-[[2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methylamino]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=C(N=C(S2)C)C(=O)N3C(CC4C3C4)CNC5=NC(=CC(=N5)OC)OC

DOS

IR

Vibrations