Geometry & MOs

Info

ID:

321898

PubChem CID:

126667241

Reduced:

SO2N7C28H35 (1)

Stoich.:

AB2C7D28E35 (1)

Weight, g/mol:

540.18675

ΔHf, kcal/mol:

36.98

Dipole, Da:

2.37

IP(EA), eV:

 -8.03(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(difluoromethoxy)-2-[3-(dimethylamino)azetidin-1-yl]-5-[[4-(1-methylthieno[3,2-c]pyrazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC2=C(S1)N(C(=C2C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC)C)C

DOS

IR

Vibrations