Geometry & MOs

Info

ID:

67360

PubChem CID:

46506350

Reduced:

SO3N5C33H35 (1)

Stoich.:

AB3C5D33E35 (1)

Weight, g/mol:

580.199171

ΔHf, kcal/mol:

-44.77

Dipole, Da:

4.33

IP(EA), eV:

 -9.13(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-(4-methoxyphenyl)butanamide

Drug info:

PubChemData

Smile

CCC(C(=O)NCC1=CC=C(C=C1)C)SC2=NC3=CC=CC=C3C4=NC(C(=O)N42)CCC(=O)NCCC5=CC=CC=C5

DOS

IR

Vibrations