Geometry & MOs

Info

ID:	88810
PubChem CID:	49956961
Reduced:	NO3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	580.11437
ΔH_f, kcal/mol:	-105.08
Dipole, Da:	4.55
IP(EA), eV:	-8.85(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[[3-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]-4-(2-phenylethoxy)benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OC(C)C(=O)NCC2=CC=C(C=C2)OC(C)C

DOS

IR

Vibrations