Geometry & MOs

Info

ID:	228482
PubChem CID:	87564774
Reduced:	N2O3C23H26 (1)
Stoich.:	A2B3C23D26 (1)
Weight, g/mol:	403.03691
ΔH_f, kcal/mol:	-47.88
Dipole, Da:	5.68
IP(EA), eV:	-8.65(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-carbamoylphenyl)carbamothioyl]-4-(trifluoromethyl)benzamide;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCCCN(C)C)OC2=NC3=C(C=C2)C=C(C=C3)CC=O

DOS

IR

Vibrations