Geometry & MOs

Info

ID:	166043
PubChem CID:	74629442
Reduced:	BrN2S2O3C17H21 (1)
Stoich.:	AB2C2D3E17F21 (1)
Weight, g/mol:	361.182398
ΔH_f, kcal/mol:	-87.62
Dipole, Da:	4.54
IP(EA), eV:	-9.06(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-propyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CNC(=O)C(C(C)C)NS(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations