Geometry & MOs

Info

ID:	231040
PubChem CID:	87572500
Reduced:	SO2H26C32 (1)
Stoich.:	AB2C26D32 (1)
Weight, g/mol:	356.115237
ΔH_f, kcal/mol:	31.3
Dipole, Da:	5.22
IP(EA), eV:	-8.98(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[6-chloro-5-[3-(2H-tetrazol-5-yl)phenyl]pyridin-3-yl]oxymethyl]-N-methylcyclopropan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1CS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations