Geometry & MOs

Info

ID:

448610

PubChem CID:

135292224

Reduced:

SO2N5C25H31 (1)

Stoich.:

AB2C5D25E31 (1)

Weight, g/mol:

516.321275

ΔHf, kcal/mol:

8.61

Dipole, Da:

6.03

IP(EA), eV:

 -8.57(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-[[3-cyano-6-cyclopropyl-5-[(4-ethenylpyridin-2-yl)amino]pyridin-2-yl]-[(1-propan-2-ylcyclopropyl)methyl]amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)CCOC)C2=NC(=C(C(=C2C#N)C)C3=CC=C(C=C3)SN)C4CC4

DOS

IR

Vibrations