Geometry & MOs

Info

ID:	222141
PubChem CID:	85294666
Reduced:	NO16C50H57 (1)
Stoich.:	AB16C50D57 (1)
Weight, g/mol:	380.289928
ΔH_f, kcal/mol:	-560.13
Dipole, Da:	10.85
IP(EA), eV:	-9.59(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OCOC)C)OC(=O)C

DOS

IR

Vibrations