Geometry & MOs

Info

ID:

67605

PubChem CID:

46506802

Reduced:

SN5O5C34H39 (1)

Stoich.:

AB5C5D34E39 (1)

Weight, g/mol:

604.235556

ΔHf, kcal/mol:

-146.51

Dipole, Da:

5.94

IP(EA), eV:

 -8.91(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-benzyl-4-[[1-[2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)C(=O)CN3C4=C(C(=O)N(C3=O)CC5CCC(CC5)C(=O)NCC6=CC=CC=C6)SC=C4

DOS

IR

Vibrations