Geometry & MOs

Info

ID:	218646
PubChem CID:	85089750
Reduced:	NOPC32H44 (1)
Stoich.:	ABCD32E44 (1)
Weight, g/mol:	490.169978
ΔH_f, kcal/mol:	-7.95
Dipole, Da:	5.86
IP(EA), eV:	-7.74(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-(1-benzyltetrazol-5-yl)oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCCCP(=NC(=CC1C=C2CC(=CCC1=O)C=CC=C2)C3=CC=CC=C3)(CCCC)CCCC

DOS

IR

Vibrations