Geometry & MOs

Info

ID:	302392
PubChem CID:	124361568
Reduced:	N2O7C22H28 (1)
Stoich.:	A2B7C22D28 (1)
Weight, g/mol:	456.183127
ΔH_f, kcal/mol:	-293.14
Dipole, Da:	6.88
IP(EA), eV:	-9.33(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9R)-11-[2-(1-cyclohexyl-6-hydroxy-4-oxopyrimidin-2-yl)sulfanylacetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

CC[C@H](C)[C@H](C(=O)O)NC(=O)CNC(=O)COC1=C(C2=C(C=C1)C(=C(C(=O)O2)C)C)C

DOS

IR

Vibrations