Geometry & MOs

Info

ID:	57693
PubChem CID:	22433414
Reduced:	OSN2C20H20 (1)
Stoich.:	ABC2D20E20 (1)
Weight, g/mol:	318.103814
ΔH_f, kcal/mol:	24.04
Dipole, Da:	3.62
IP(EA), eV:	-8.66(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[ethyl-[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropanoate

Drug info:

PubChemData

Smile

CCN(C1=NC(=CS1)C2=CC=C(C=C2)C)C(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations