Geometry & MOs

Info

ID:	133714
PubChem CID:	51578672
Reduced:	ClN2O5H25C27 (1)
Stoich.:	AB2C5D25E27 (1)
Weight, g/mol:	302.049191
ΔH_f, kcal/mol:	-133.86
Dipole, Da:	5.26
IP(EA), eV:	-8.57(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-methylphenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCN([C@@H]2CC(=O)N(C2=O)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl)OC

DOS

IR

Vibrations