Geometry & MOs

Info

ID:

333359

PubChem CID:

127251911

Reduced:

FSO3N5C21H26 (1)

Stoich.:

ABC3D5E21F26 (1)

Weight, g/mol:

448.258674

ΔHf, kcal/mol:

-125.58

Dipole, Da:

7.83

IP(EA), eV:

 -9.19(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(C2)C3=NC4=C(CCN(C4)C(=O)C)C(=N3)NC)F

DOS

IR

Vibrations