Geometry & MOs

Info

ID:

445374

PubChem CID:

135266565

Reduced:

NC19H35 (1)

Stoich.:

AB19C35 (1)

Weight, g/mol:

892.338679

ΔHf, kcal/mol:

-21.55

Dipole, Da:

2.23

IP(EA), eV:

 -8.49(1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[4-[4-[[3-amino-4-[[(2R)-4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]phenyl]sulfonylamino]phenyl]piperazin-1-yl]phenyl]-5-(4-fluorophenyl)-1,2-dimethyl-N-sulfanylpyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C)/C(=C\CC(=C)C(C)/C(=C(\C)/N(C)CC)/C)/C

DOS

IR

Vibrations