Geometry & MOs

Info

ID:	218649
PubChem CID:	85089753
Reduced:	N2O9C24H30 (1)
Stoich.:	A2B9C24D30 (1)
Weight, g/mol:	490.231516
ΔH_f, kcal/mol:	-216.03
Dipole, Da:	7.11
IP(EA), eV:	-10.03(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[7-(cyclohexylmethyl)-6-hydroxy-5,9,13-trioxo-1,4-dioxa-8-azacyclotridec-10-yl]carbamate

Drug info:

PubChemData

Smile

CCC1C(C=CC(=O)C(CC(C(C(C(=O)O1)C)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C)C)C

DOS

IR

Vibrations