Geometry & MOs

Info

ID:	169162
PubChem CID:	75068832
Reduced:	NO16C24H37 (2)
Stoich.:	AB16C24D37 (2)
Weight, g/mol:	2693.834694
ΔH_f, kcal/mol:	-1390.45
Dipole, Da:	6.16
IP(EA), eV:	-9.87(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

Smile

C1CCOC2C(C(C(C(O2)C(=O)NCC3=CC=C(CNC(=O)C4C(C(C(C(O4)OC1)O)OC5C(C(C(C(O5)CO)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)C=C3)O)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)O)O

DOS

IR

Vibrations