Geometry & MOs

Info

ID:	169533
PubChem CID:	75117723
Reduced:	S2N3O3C17H17 (1)
Stoich.:	A2B3C3D17E17 (1)
Weight, g/mol:	361.167142
ΔH_f, kcal/mol:	-55.23
Dipole, Da:	7.43
IP(EA), eV:	-8.51(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxothiolan-3-yl)-3-(3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)urea

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=O)C12)CSCC(=O)NC3=CC=CC=C3O)C

DOS

IR

Vibrations