Geometry & MOs

Info

ID:

190611

PubChem CID:

78032044

Reduced:

O3N5C21H21 (2)

Stoich.:

A3B5C21D21 (2)

Weight, g/mol:

383.176644

ΔHf, kcal/mol:

-91.65

Dipole, Da:

4.53

IP(EA), eV:

 -8.76(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methyl-3-[(4-methylphenyl)sulfinylamino]-5-(2-propyl-1,3-dioxolan-2-yl)pentanoic acid

Drug info:

PubChemData

Smile

CC(C1=NC=C(N1)C2=CC=C(C=C2)C3=NC=C(C=N3)C4=CN=C(N4)C5CCCN5C(=O)C(C6=CC=CC=C6)OC(=O)N)N(C)C(=O)C(C7=CC=CC=C7)NC(=O)OC

DOS

IR

Vibrations