Geometry & MOs

Info

ID:	233447
PubChem CID:	90944514
Reduced:	SCl2O2N5H25C27 (1)
Stoich.:	AB2C2D5E25F27 (1)
Weight, g/mol:	444.257692
ΔH_f, kcal/mol:	81.53
Dipole, Da:	5.91
IP(EA), eV:	-8.39(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(diethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(4-fluorophenyl)-N-methylbenzamide

Drug info:

PubChemData

Smile

CCC1=C(N(N=C1C(=O)NN2CCS(=O)CC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)C#CCCC#N

DOS

IR

Vibrations