Geometry & MOs

Info

ID:	68300
PubChem CID:	46508137
Reduced:	SN4O5C21H24 (1)
Stoich.:	AB4C5D21E24 (1)
Weight, g/mol:	355.110296
ΔH_f, kcal/mol:	-60.07
Dipole, Da:	7.06
IP(EA), eV:	-9.34(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide

Drug info:

PubChemData

Smile

C1CC1(CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4

DOS

IR

Vibrations