Geometry & MOs

Info

ID:	128519
PubChem CID:	51048062
Reduced:	SN2O5H24C29 (1)
Stoich.:	AB2C5D24E29 (1)
Weight, g/mol:	358.175339
ΔH_f, kcal/mol:	-93.48
Dipole, Da:	8.37
IP(EA), eV:	-8.35(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3,4-dimethyl-2-(tetrazol-1-yl)benzoyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N=C(S2)N3C(/C(=C(\C4=CC5=C(C=C4)OC(C5)C)/O)/C(=O)C3=O)C6=CC=CC=C6

DOS

IR

Vibrations