Geometry & MOs

Info

ID:	231989
PubChem CID:	87575075
Reduced:	O2C5H7 (2)
Stoich.:	A2B5C7 (2)
Weight, g/mol:	495.258065
ΔH_f, kcal/mol:	-161.01
Dipole, Da:	2.18
IP(EA), eV:	-10.2(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,4R,6S,7E,14S,18R)-18-hydroxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-12-oxa-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate

Drug info:

PubChemData

Smile

C/C=C(\C)/C(=O)OCOC(=O)C(=C)C

DOS

IR

Vibrations