Geometry & MOs

Info

ID:

234039

PubChem CID:

92297586

Reduced:

SO4N6C28H30 (1)

Stoich.:

AB4C6D28E30 (1)

Weight, g/mol:

534.24131

ΔHf, kcal/mol:

-68.33

Dipole, Da:

5.74

IP(EA), eV:

 -8.74(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-N-[(1S)-2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-5-N-(3-methylphenyl)-1,2-thiazole-3,5-dicarboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CCN([C@H](C2=CC3=C(C=C2)N=CC=C3)C(=O)NCCOC)C(=O)C4=C(C(=NS4)C(=O)N)N

DOS

IR

Vibrations