Geometry & MOs

Info

ID:	15773
PubChem CID:	450296
Reduced:	ON2S2C17H22 (1)
Stoich.:	AB2C2D17E22 (1)
Weight, g/mol:	334.117356
ΔH_f, kcal/mol:	16.34
Dipole, Da:	4.62
IP(EA), eV:	-8.22(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[C-methyl-N-[2-[[2-[methylsulfanyl(sulfanyl)methylidene]cyclopentylidene]amino]ethyl]carbonimidoyl]phenol

Drug info:

PubChemData

Smile

CC(=NCCN=C1CCCC1=C(S)SC)C2=CC=CC=C2O

DOS

IR

Vibrations