Geometry & MOs

Info

ID:	384947
PubChem CID:	134978011
Reduced:	BrNPO2C24H27 (1)
Stoich.:	ABCD2E24F27 (1)
Weight, g/mol:	473.205606
ΔH_f, kcal/mol:	-42.35
Dipole, Da:	6.55
IP(EA), eV:	-8.83(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,5S)-2-naphthalen-1-yl-5-propan-2-yl-1-(2-trimethylsilylethylsulfonyl)-2,5-dihydropyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CP(CCOC(=O)[C@H](CC1=CC=CC=C1)N)(C2=CC=CC=C2)(C3=CC=CC=C3)Br

DOS

IR

Vibrations