Geometry & MOs

Info

ID:	228416
PubChem CID:	87564307
Reduced:	SCl2N3O4H15C17 (1)
Stoich.:	AB2C3D4E15F17 (1)
Weight, g/mol:	327.104148
ΔH_f, kcal/mol:	-121.28
Dipole, Da:	5.18
IP(EA), eV:	-9.31(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-carbamoylphenyl)carbamothioyl]-4-ethylbenzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Cl)C(=O)NC(=O)N(C2=CC=C(C=C2)C(=O)N)S)Cl

DOS

IR

Vibrations