Geometry & MOs

Info

ID:	121271
PubChem CID:	50761334
Reduced:	O3N5C16H19 (1)
Stoich.:	A3B5C16D19 (1)
Weight, g/mol:	347.130363
ΔH_f, kcal/mol:	2.69
Dipole, Da:	4.27
IP(EA), eV:	-9.33(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C(=C(N=C3N2NN=N3)C)C(=O)OCCOC

DOS

IR

Vibrations