Geometry & MOs

Info

ID:	180575
PubChem CID:	76654622
Reduced:	O3N5C22H25 (1)
Stoich.:	A3B5C22D25 (1)
Weight, g/mol:	561.17904
ΔH_f, kcal/mol:	-7.0
Dipole, Da:	7.89
IP(EA), eV:	-8.33(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-chloro-3-fluorophenyl)methylcarbamoyl-methylamino]-3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl] N-(5-phenyl-1,2,4-oxadiazol-3-yl)carbamate

Drug info:

PubChemData

Smile

COC1=CC(=C2C=CC3C(=N2)N=C(C=N3)NC(=O)NC4CCCCCC4)C=CC1=O

DOS

IR

Vibrations