Geometry & MOs

Info

ID:	180309
PubChem CID:	76613096
Reduced:	SO3N5C21H27 (1)
Stoich.:	AB3C5D21E27 (1)
Weight, g/mol:	451.04241
ΔH_f, kcal/mol:	-58.28
Dipole, Da:	3.74
IP(EA), eV:	-9.35(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-[3-(4-bromophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzenecarboximidate

Drug info:

PubChemData

Smile

CN1C(NC(CC1=O)C2=CC=NC=C2)N3CCNC(C3)C4=CC=C(C=C4)S(=O)(=O)C

DOS

IR

Vibrations