Geometry & MOs

Info

ID:	196383
PubChem CID:	78817784
Reduced:	SO3N5C20H29 (1)
Stoich.:	AB3C5D20E29 (1)
Weight, g/mol:	415.09291
ΔH_f, kcal/mol:	-84.69
Dipole, Da:	2.62
IP(EA), eV:	-8.64(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NCC(=O)NC2=C(N(N=C2C)C)C)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations