Geometry & MOs

Info

ID:	431319
PubChem CID:	135171390
Reduced:	O3N5C24H27 (1)
Stoich.:	A3B5C24D27 (1)
Weight, g/mol:	478.180744
ΔH_f, kcal/mol:	32.35
Dipole, Da:	2.95
IP(EA), eV:	-8.91(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-[2-[3-[(5-hydroxythiolane-3-carbonyl)amino]propoxy]ethoxy]ethoxy]propyl]-5-oxothiolane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CC4=C(C=C3)N=C(O4)C)C(=O)NC5C6CC5C6

DOS

IR

Vibrations