Geometry & MOs

Info

ID:	46708
PubChem CID:	10526471
Reduced:	SN2O3C24H30 (1)
Stoich.:	AB2C3D24E30 (1)
Weight, g/mol:	426.09429
ΔH_f, kcal/mol:	-106.81
Dipole, Da:	2.54
IP(EA), eV:	-8.75(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,5S,8R)-8-bromo-5-phenyl-10-[(1R)-1-phenylethyl]-3-oxa-6,10-diazatricyclo[6.3.0.02,6]undecan-7-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)N(C3=C(S2)C=C(C=C3)C)CCNC)OC(=O)C(C)C

DOS

IR

Vibrations