Geometry & MOs

Info

ID:	121272
PubChem CID:	50761355
Reduced:	SN3O3C17H21 (1)
Stoich.:	AB3C3D17E21 (1)
Weight, g/mol:	333.114713
ΔH_f, kcal/mol:	-99.95
Dipole, Da:	4.26
IP(EA), eV:	-8.67(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[4-amino-5-(2-methylpropanoyl)-1,3-thiazol-2-yl]amino]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)CC(C)C)N

DOS

IR

Vibrations