Geometry & MOs

Info

ID:

47503

PubChem CID:

10533537

Reduced:

S2F6O8C41H42 (1)

Stoich.:

A2B6C8D41E42 (1)

Weight, g/mol:

840.486643

ΔHf, kcal/mol:

-526.53

Dipole, Da:

6.8

IP(EA), eV:

 -8.43(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-N-[8-[2-[2-[8-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]octylamino]ethyldisulfanyl]ethylamino]octyl]-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine

Drug info:

PubChemData

Smile

CC1=C(S[C@@]2(C1=C3C(=C4[C@]2(SC(=C4C)C5=CC6=C(C=C5)OCCOCCOCCO6)C)C(C(C3(F)F)(F)F)(F)F)C)C7=CC8=C(C=C7)OCCOCCOCCO8

DOS

IR

Vibrations