Geometry & MOs

Info

ID:

148947

PubChem CID:

53788617

Reduced:

F2N5O7C32H37 (1)

Stoich.:

A2B5C7D32E37 (1)

Weight, g/mol:

601.258646

ΔHf, kcal/mol:

-266.79

Dipole, Da:

11.49

IP(EA), eV:

 -8.54(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-[3-[2-(dimethylamino)-2-oxoethyl]-2-oxo-1,3-diazinan-1-yl]piperidin-1-yl]butyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C)N1CCC(CC1)OC2=C(C(=NC(=C2F)OC3=CC(=C(N)N)C=CC3=O)OC4=CC=CC(=C4)C(=O)N(C)C)F

DOS

IR

Vibrations