Geometry & MOs

Info

ID:	185140
PubChem CID:	77261131
Reduced:	S2O4N9C22H25 (1)
Stoich.:	A2B4C9D22E25 (1)
Weight, g/mol:	458.236956
ΔH_f, kcal/mol:	-27.94
Dipole, Da:	5.6
IP(EA), eV:	-8.91(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-(4-cyanophenyl)cyclopentyl]-N-[1-(4-fluoronaphthalen-1-yl)ethyl]carbamate

Drug info:

PubChemData

Smile

CC(C1=NC=C(S1)C2=C3N=C(C(=C(N3N=C2)N)S(=O)(=O)C)C4CC5CCC(C4)N5C(=O)C6=NC=NN6)O

DOS

IR

Vibrations