Geometry & MOs

Info

ID:

144294

PubChem CID:

53346069

Reduced:

SO2F3N7C29H30 (1)

Stoich.:

AB2C3D7E29F30 (1)

Weight, g/mol:

626.192309

ΔHf, kcal/mol:

-147.95

Dipole, Da:

9.66

IP(EA), eV:

 -8.43(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[[4-[[3-[(4-aminothieno[3,2-d]pyrimidine-7-carbonyl)amino]-4-methylphenyl]carbamoyl]-2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl] acetate

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CC2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)NC(=O)C4=CSC5=C4N=CN=C5N)C(F)(F)F

DOS

IR

Vibrations