Geometry & MOs

Info

ID:	194555
PubChem CID:	78555122
Reduced:	NO5C23H31 (1)
Stoich.:	AB5C23D31 (1)
Weight, g/mol:	396.161997
ΔH_f, kcal/mol:	-212.35
Dipole, Da:	1.54
IP(EA), eV:	-8.83(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-butan-2-ylphenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylethanone

Drug info:

PubChemData

Smile

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)COC4=CC=CC=C4OC

DOS

IR

Vibrations