Geometry & MOs

Info

ID:	234079
PubChem CID:	92297676
Reduced:	ClN4C18H23 (1)
Stoich.:	AB4C18D23 (1)
Weight, g/mol:	536.25696
ΔH_f, kcal/mol:	45.18
Dipole, Da:	5.15
IP(EA), eV:	-8.62(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

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C[C@H](C/C=N\N1CCCCC1)NC2=C3C=CC(=CC3=NC=C2)Cl

DOS

IR

Vibrations