Geometry & MOs

Info

ID:

175875

PubChem CID:

75964196

Reduced:

O8C19H27 (2)

Stoich.:

A8B19C27 (2)

Weight, g/mol:

517.149636

ΔHf, kcal/mol:

-710.1

Dipole, Da:

3.9

IP(EA), eV:

 -9.49(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1CC2(C(CCC3(C2(CCC3C4=COC(=O)C=C4)O)C)C5(C1=CC(CC5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)O)O)O)O)C)O

DOS

IR

Vibrations