Geometry & MOs

Info

ID:	420653
PubChem CID:	135114605
Reduced:	N3O3C12H19 (1)
Stoich.:	A3B3C12D19 (1)
Weight, g/mol:	523.290703
ΔH_f, kcal/mol:	-119.15
Dipole, Da:	4.3
IP(EA), eV:	-9.27(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,8S,14S)-14-benzyl-10-(cyclopropanecarbonyl)-5,17-dimethyl-8-propan-2-yl-1,4,7,10,13,16,18-heptazabicyclo[13.3.0]octadeca-15,17-diene-3,6,12-trione

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)NCC2=NC=CN2

DOS

IR

Vibrations