Geometry & MOs

Info

ID:	185682
PubChem CID:	77332093
Reduced:	SO4N5C28H37 (1)
Stoich.:	AB4C5D28E37 (1)
Weight, g/mol:	495.307021
ΔH_f, kcal/mol:	-105.24
Dipole, Da:	4.94
IP(EA), eV:	-8.42(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-phenoxyphenyl)methyl]-1-propyl-2,3-bis(tetrazolidin-5-ylmethyl)cyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)N(C)C(CC1=CC=CC=C1)C(=O)N2C3CCCCC3CC2C(=O)NC4=CC=C(C=C4)C=NN

DOS

IR

Vibrations