Geometry & MOs

Info

ID:	30921
PubChem CID:	853801
Reduced:	O2N3C15H15 (1)
Stoich.:	A2B3C15D15 (1)
Weight, g/mol:	252.093249
ΔH_f, kcal/mol:	-27.51
Dipole, Da:	2.11
IP(EA), eV:	-9.04(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(ethylcarbamothioylamino)benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NN

DOS

IR

Vibrations