Geometry & MOs

Info

ID:

229069

PubChem CID:

87566880

Reduced:

ClOSN4C19H21 (1)

Stoich.:

ABCD4E19F21 (1)

Weight, g/mol:

652.348552

ΔHf, kcal/mol:

27.66

Dipole, Da:

4.72

IP(EA), eV:

 -8.69(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-benzyl-3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-[[5-pyrrol-1-yl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]propyl]carbamic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)CCNC2=NC3=C(S2)C=C(C=C3)OC4=NC(=NC=C4)Cl

DOS

IR

Vibrations