Geometry & MOs

Info

ID:

234129

PubChem CID:

92297789

Reduced:

ON3C16H17 (2)

Stoich.:

AB3C16D17 (2)

Weight, g/mol:

534.24131

ΔHf, kcal/mol:

57.26

Dipole, Da:

4.2

IP(EA), eV:

 -8.73(-1.0)

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-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=C(C(=O)N2)[C@H](C3=NN=NN3C4CCCC4)N(CC5=CC=CC=C5)CC6=CC=C(C=C6)OC

DOS

IR

Vibrations