Geometry & MOs

Info

ID:	324467
PubChem CID:	126677724
Reduced:	SN4O4H16C17 (1)
Stoich.:	AB4C4D16E17 (1)
Weight, g/mol:	500.172956
ΔH_f, kcal/mol:	-11.16
Dipole, Da:	5.76
IP(EA), eV:	-8.92(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[4-[[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]-1,2-oxazole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCCC3=CC(=NO3)C(=O)NO

DOS

IR

Vibrations