Geometry & MOs

Info

ID:	69957
PubChem CID:	47205960
Reduced:	ClOSN4C13H15 (1)
Stoich.:	ABCD4E13F15 (1)
Weight, g/mol:	328.02039
ΔH_f, kcal/mol:	-0.25
Dipole, Da:	4.48
IP(EA), eV:	-9.51(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dichlorophenyl)-3-[(5-ethylthiophen-2-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NC(=O)NC(C)CC2=CC(=CC=C2)Cl

DOS

IR

Vibrations