Geometry & MOs

Info

ID:	124353
PubChem CID:	50880151
Reduced:	BrOSN3H14C16 (1)
Stoich.:	ABCD3E14F16 (1)
Weight, g/mol:	447.192484
ΔH_f, kcal/mol:	19.54
Dipole, Da:	2.4
IP(EA), eV:	-8.63(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1NC(=O)C3=CC(=CC=C3)Br)C)SC(=N2)N

DOS

IR

Vibrations