Geometry & MOs

Info

ID:	88780
PubChem CID:	49956776
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	539.08783
ΔH_f, kcal/mol:	-94.11
Dipole, Da:	4.35
IP(EA), eV:	-8.73(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(2-phenylethoxy)-N-[[4-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OC(C)C(=O)NC2=CC=CC(=C2)C(=O)N3CCN(CC3)C

DOS

IR

Vibrations