Geometry & MOs

Info

ID:	69548
PubChem CID:	47193728
Reduced:	ION2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	393.98481
ΔH_f, kcal/mol:	-3.92
Dipole, Da:	5.69
IP(EA), eV:	-8.75(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,1-dioxothiolan-3-yl)methyl]-3-(4-iodophenyl)urea

Drug info:

PubChemData

Smile

CC(C)CN(C1CC1)C(=O)NC2=CC=C(C=C2)I

DOS

IR

Vibrations