Geometry & MOs

Info

ID:	131940
PubChem CID:	51283021
Reduced:	N2O3C17H20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	372.071468
ΔH_f, kcal/mol:	-77.86
Dipole, Da:	4.38
IP(EA), eV:	-8.88(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraen-4-yl-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)C(=O)N2CCN(CC2)CC3=CC=CO3

DOS

IR

Vibrations