Geometry & MOs

Info

ID:	14751
PubChem CID:	419538
Reduced:	ClNSH28C30 (1)
Stoich.:	ABCD28E30 (1)
Weight, g/mol:	469.163099
ΔH_f, kcal/mol:	76.35
Dipole, Da:	2.18
IP(EA), eV:	-8.4(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-benzo[a]anthracen-7-ylphenyl)methyl]-2-(2-chloroethylsulfanyl)-N-methylethanamine

Drug info:

PubChemData

Smile

CN(CCSCCCl)CC1=CC=C(C=C1)C2=C3C=CC4=CC=CC=C4C3=CC5=CC=CC=C52

DOS

IR

Vibrations