Geometry & MOs

Info

ID:	185466
PubChem CID:	77302594
Reduced:	ClO3N5C26H30 (1)
Stoich.:	AB3C5D26E30 (1)
Weight, g/mol:	415.201968
ΔH_f, kcal/mol:	-89.94
Dipole, Da:	5.12
IP(EA), eV:	-8.63(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-fluoro-5-(tetrazolidin-5-yl)phenyl]pentanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C3=CC=C(C=C3)C4=C(C=C(C=C4)N)Cl)NC(=O)OC

DOS

IR

Vibrations