Geometry & MOs

Info

ID:	296966
PubChem CID:	117603194
Reduced:	N3O6C25H35 (1)
Stoich.:	A3B6C25D35 (1)
Weight, g/mol:	298.113984
ΔH_f, kcal/mol:	-206.73
Dipole, Da:	8.81
IP(EA), eV:	-8.86(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-ethyl-3-methylphenyl)carbamothioyl]benzamide

Drug info:

PubChemData

Smile

CC1=CN2C(=CC(=N2)C(=O)O)C(=C1C(C(=O)OC)OC(C)(C)C)N3CCC(CC3)(C)OCC=C

DOS

IR

Vibrations