Geometry & MOs

Info

ID:	63239
PubChem CID:	26750268
Reduced:	BrN2O5C15H19 (1)
Stoich.:	AB2C5D15E19 (1)
Weight, g/mol:	480.148571
ΔH_f, kcal/mol:	-183.37
Dipole, Da:	7.23
IP(EA), eV:	-9.46(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(3-chloro-4,5-dimethoxyphenyl)methanone

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC(=O)NC(C)(C)C)OC(=O)/C=C/C1=CC=C(O1)Br

DOS

IR

Vibrations