Geometry & MOs

Info

ID:

234077

PubChem CID:

92297672

Reduced:

O4N7C31H35 (1)

Stoich.:

A4B7C31D35 (1)

Weight, g/mol:

548.25696

ΔHf, kcal/mol:

-14.17

Dipole, Da:

9.1

IP(EA), eV:

 -8.18(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N([C@@H](C2=CC=NC=C2)C(=O)NC3CCCC3)C(=O)CN4N=C(N=N4)C5=CC(=C(C=C5)OC)OC)C

DOS

IR

Vibrations