Geometry & MOs

Info

ID:	61131
PubChem CID:	26705926
Reduced:	ClSN2O3H15C19 (1)
Stoich.:	ABC2D3E15F19 (1)
Weight, g/mol:	367.128054
ΔH_f, kcal/mol:	-60.26
Dipole, Da:	3.91
IP(EA), eV:	-9.18(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC(=C3)C(=O)OC

DOS

IR

Vibrations