Geometry & MOs

Info

ID:	69968
PubChem CID:	47206084
Reduced:	ClO2N3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	281.065654
ΔH_f, kcal/mol:	-29.26
Dipole, Da:	2.87
IP(EA), eV:	-9.5(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-ethylthiophen-2-yl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)urea

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)NC(C)CC2=CC(=CC=C2)Cl

DOS

IR

Vibrations