Geometry & MOs

Info

ID:	364350
PubChem CID:	127315490
Reduced:	SO2N4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	390.172562
ΔH_f, kcal/mol:	-38.24
Dipole, Da:	4.54
IP(EA), eV:	-8.72(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylphenyl)-3-[2-oxo-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]ethyl]urea

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)N3CCCC3C(=O)N4CCSCC4)NN=C2

DOS

IR

Vibrations