Geometry & MOs

Info

ID:	61076
PubChem CID:	26705310
Reduced:	ClN3O4H20C22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	394.135114
ΔH_f, kcal/mol:	-83.08
Dipole, Da:	6.29
IP(EA), eV:	-9.36(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=NN1C2=CC=C(C=C2)Cl)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations