Geometry & MOs

Info

ID:	33817
PubChem CID:	7888253
Reduced:	NO6C22H23 (1)
Stoich.:	AB6C22D23 (1)
Weight, g/mol:	397.128255
ΔH_f, kcal/mol:	-200.26
Dipole, Da:	6.05
IP(EA), eV:	-9.4(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-ethyl-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)CN3CCCC3=O)OC

DOS

IR

Vibrations