Geometry & MOs

Info

ID:	180836
PubChem CID:	76693062
Reduced:	N2O5C28H44 (1)
Stoich.:	A2B5C28D44 (1)
Weight, g/mol:	321.151098
ΔH_f, kcal/mol:	-214.65
Dipole, Da:	7.46
IP(EA), eV:	-9.73(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(hex-3-enoylamino)ethylsulfanyl]ethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC=CCC=CCC=CCC=CCC=CCCCC(=O)NC(C)C(=O)OC(C)C(C(=O)OC)N

DOS

IR

Vibrations