Geometry & MOs

Info

ID:	299230
PubChem CID:	117682245
Reduced:	OF3N4H19C21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	461.232599
ΔH_f, kcal/mol:	-125.82
Dipole, Da:	8.12
IP(EA), eV:	-9.54(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[N'-[[6-(2-fluoroethoxy)naphthalen-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)N2[C@H]3CCCC[C@@H]3N(C2=O)C4=CC(=C(C=C4)C#N)C(F)(F)F

DOS

IR

Vibrations