Geometry & MOs

Info

ID:	432726
PubChem CID:	135172863
Reduced:	N5O10C59H83 (1)
Stoich.:	A5B10C59D83 (1)
Weight, g/mol:	254.180129
ΔH_f, kcal/mol:	-422.35
Dipole, Da:	7.47
IP(EA), eV:	-8.72(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5Z)-8-(chloromethyl)-2,3-dimethyl-6-prop-1-en-2-yldeca-3,5-diene

Drug info:

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1[C@H]2C[C@H]2C[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC(C)(C)C)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

DOS

IR

Vibrations