Geometry & MOs

Info

ID:	242985
PubChem CID:	99214822
Reduced:	Cl2O3N4H18C19 (1)
Stoich.:	A2B3C4D18E19 (1)
Weight, g/mol:	401.073153
ΔH_f, kcal/mol:	-52.95
Dipole, Da:	3.15
IP(EA), eV:	-8.78(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,3-dichlorophenoxy)ethyl]-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)C(=O)NNC(=O)NCCOC3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations