Geometry & MOs

Info

ID:	131586
PubChem CID:	51231035
Reduced:	ClNSO4C15H18 (1)
Stoich.:	ABCD4E15F18 (1)
Weight, g/mol:	391.16444
ΔH_f, kcal/mol:	-174.61
Dipole, Da:	7.4
IP(EA), eV:	-8.76(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2-(tetrazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1(CCS(=O)(=O)C1)NC(=O)C2CC3=C(C=CC(=C3)Cl)OC2

DOS

IR

Vibrations