Geometry & MOs

Info

ID:

436683

PubChem CID:

135207502

Reduced:

SN9O9C38H63 (1)

Stoich.:

AB9C9D38E63 (1)

Weight, g/mol:

442.22162

ΔHf, kcal/mol:

-334.69

Dipole, Da:

13.96

IP(EA), eV:

 -8.76(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[3-(1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl)propyl]urea

Drug info:

PubChemData

Smile

CN(C)C(CC1=CC=C(C=C1)O)CNC(=O)NCCC2=CN(N=N2)CCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4

DOS

IR

Vibrations