Geometry & MOs

Info

ID:	421509
PubChem CID:	135116145
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	503.242021
ΔH_f, kcal/mol:	-80.32
Dipole, Da:	7.74
IP(EA), eV:	-9.08(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-4-[[(10S,14S)-16-oxo-2,9-dioxa-12,15-diazatetracyclo[16.3.1.13,7.010,14]tricosa-1(21),3,5,7(23),18(22),19-hexaen-12-yl]methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=CN1C2=CC=CC=C2CNC(=O)COCC3CCCO3

DOS

IR

Vibrations