Geometry & MOs

Info

ID:	165897
PubChem CID:	74610460
Reduced:	SN3O3C25H34 (1)
Stoich.:	AB3C3D25E34 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	-53.75
Dipole, Da:	4.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.802746
Charge, e:	0

Chem-info

IUPAC name:

2-(2-benzylsulfanyl-6-oxo-1,3-diazinan-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(C[NH+](C2)CC(=O)N3CCC(CC3)N4CCOCC4)C5=CSC=C5

DOS

IR

Vibrations