Geometry & MOs

Info

ID:	437359
PubChem CID:	135226168
Reduced:	N2O2C31H54 (1)
Stoich.:	A2B2C31D54 (1)
Weight, g/mol:	358.250795
ΔH_f, kcal/mol:	-134.66
Dipole, Da:	2.8
IP(EA), eV:	-8.32(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z,8Z,11S,12E,14Z,16E,18S,20Z)-tricosa-1,5,8,12,14,16,20-heptaene-2,11,18-triol

Drug info:

PubChemData

Smile

CCC(C)(C)C(=O)[C@@H]1C[C@@H]2CCC([C@@H]2N1C(C)(C)C)CC(C)(C)C(=O)[C@@H]3C[C@@H]4C[C@@H]4N3C(C)(C)C

DOS

IR

Vibrations