Geometry & MOs

Info

ID:

443934

PubChem CID:

135260600

Reduced:

O3N8C29H30 (1)

Stoich.:

A3B8C29D30 (1)

Weight, g/mol:

468.169208

ΔHf, kcal/mol:

33.98

Dipole, Da:

6.88

IP(EA), eV:

 -9.33(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

hydroxysulfanylmethane;4-[3-[[6-(methoxymethyl)pyridin-2-yl]methyl]-1,2-dihydrotriazol-5-yl]-6-(3-nitrosophenyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(C1CCC(CC1)C(=O)O)C2=CC=CC(=N2)CN3C=C(N=N3)C4=NC(=NC(=C4)C5=CC=CC(=C5OC)C#N)N

DOS

IR

Vibrations