Geometry & MOs

Info

ID:	128042
PubChem CID:	51028467
Reduced:	NO5C18H19 (1)
Stoich.:	AB5C18D19 (1)
Weight, g/mol:	351.121906
ΔH_f, kcal/mol:	-187.12
Dipole, Da:	6.7
IP(EA), eV:	-8.64(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(1S,2S,6S,7S,8S,12R)-10-methyl-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.02,6.08,12]tridec-4-en-5-yl]phenoxy]acetonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)COC(=O)[C@H]2[C@H]3C[C@H]4[C@H]2C(=O)O[C@@H]4C3

DOS

IR

Vibrations