Geometry & MOs

Info

ID:

431356

PubChem CID:

135171431

Reduced:

BrClOSN4C14H18 (1)

Stoich.:

ABCDE4F14G18 (1)

Weight, g/mol:

584.274718

ΔHf, kcal/mol:

9.51

Dipole, Da:

3.96

IP(EA), eV:

 -8.29(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(2-hydroxyethylamino)methyl]-N-[3-[3-[[5-[(2-hydroxyethylamino)methyl]pyridine-2-carbonyl]amino]-2-methoxyphenyl]-2-methylphenyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN1CN(C(=C1Cl)Br)C2=CSC(=N2)N3[C@@H]4CCC[C@H]3COC4

DOS

IR

Vibrations