Geometry & MOs

Info

ID:	234073
PubChem CID:	92297667
Reduced:	SN3O4H15C16 (1)
Stoich.:	AB3C4D15E16 (1)
Weight, g/mol:	556.22566
ΔH_f, kcal/mol:	-86.65
Dipole, Da:	7.02
IP(EA), eV:	-9.4(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)C1=CC=CC=C1)[C@]2([C@@H](C(=O)NC(=S)N2)C#N)C(=O)OC

DOS

IR

Vibrations