Geometry & MOs

Info

ID:	234070
PubChem CID:	92297657
Reduced:	Cl3O4H11C14 (1)
Stoich.:	A3B4C11D14 (1)
Weight, g/mol:	548.25696
ΔH_f, kcal/mol:	-128.59
Dipole, Da:	2.76
IP(EA), eV:	-9.2(-0.85)
Spin(S_z, 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-(2,3-dimethylphenyl)-1,2-thiazole-3,5-dicarboxamide

Drug info:

PubChemData

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C[C@H](C(=O)OCC1=CC=CO1)OC2=CC(=C(C=C2Cl)Cl)Cl

DOS

IR

Vibrations