Geometry & MOs

Info

ID:	13994
PubChem CID:	401356
Reduced:	SN3O4C27H29 (1)
Stoich.:	AB3C4D27E29 (1)
Weight, g/mol:	491.187878
ΔH_f, kcal/mol:	-47.47
Dipole, Da:	6.55
IP(EA), eV:	-8.6(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,5-trimethoxy-N-phenyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)N(C2=CC=CC=C2)C(=S)N3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations