Geometry & MOs

Info

ID:	395995
PubChem CID:	135027169
Reduced:	N2O2S2C24H29 (1)
Stoich.:	A2B2C2D24E29 (1)
Weight, g/mol:	440.159221
ΔH_f, kcal/mol:	-10.38
Dipole, Da:	1.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.792834
Charge, e:	0

Chem-info

IUPAC name:

1-morpholin-4-yl-2-[(E)-1-morpholin-4-yl-2-phenylethenyl]sulfanyl-2-phenylethanethione

Drug info:

PubChemData

Smile

C1COCCN1C(=S)C(C2=CC=CC=C2)SC(=[N+]3CCOCC3)CC4=CC=CC=C4

DOS

IR

Vibrations