Geometry & MOs

Info

ID:	328407
PubChem CID:	126706232
Reduced:	PN2O21C50H83 (1)
Stoich.:	AB2C21D50E83 (1)
Weight, g/mol:	156.097272
ΔH_f, kcal/mol:	-1014.1
Dipole, Da:	10.67
IP(EA), eV:	-9.16(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4Z)-3-propan-2-ylsulfanylhexa-2,4-diene

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/CC(=C)CCC(C)(C)/C=C/CC/C(=C\COCCOP(=O)(O)OC1C(C(C(C(O1)C(=O)C)(C)O)OC(=O)N)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)NC(=O)C)/C)/C)C

DOS

IR

Vibrations