Geometry & MOs

Info

ID:	297958
PubChem CID:	117636659
Reduced:	O2N3C14H25 (1)
Stoich.:	A2B3C14D25 (1)
Weight, g/mol:	361.042349
ΔH_f, kcal/mol:	-92.96
Dipole, Da:	4.73
IP(EA), eV:	-9.37(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S,9R,11R)-15-amino-3,6-dihydroxy-6-oxo-2,5,7,10-tetraoxa-12,14,16,19-tetraza-6lambda5-phosphapentacyclo[9.8.0.01,3.04,9.013,18]nonadeca-13(18),15-dien-17-one

Drug info:

PubChemData

Smile

CC1CCN=C1C(=O)NCCCCC(C(=O)C)NC

DOS

IR

Vibrations