Geometry & MOs

Info

ID:	126961
PubChem CID:	50985641
Reduced:	SN5C17H29 (1)
Stoich.:	AB5C17D29 (1)
Weight, g/mol:	529.0404
ΔH_f, kcal/mol:	41.65
Dipole, Da:	5.61
IP(EA), eV:	-8.69(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCCN2C[C@H]3CC[C@H]2C3)CC4CCNCC4

DOS

IR

Vibrations