Geometry & MOs

Info

ID:	41642
PubChem CID:	8146669
Reduced:	ClNO4C17H22 (1)
Stoich.:	ABC4D17E22 (1)
Weight, g/mol:	356.154507
ΔH_f, kcal/mol:	-170.14
Dipole, Da:	3.74
IP(EA), eV:	-9.26(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl-ethyl-[[4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]azanium

Drug info:

PubChemData

Smile

C1CCCC(CC1)NC(=O)COC(=O)COC2=CC=C(C=C2)Cl

DOS

IR

Vibrations