Geometry & MOs

Info

ID:	440880
PubChem CID:	135231995
Reduced:	N4O4H20C25 (1)
Stoich.:	A4B4C20D25 (1)
Weight, g/mol:	542.375344
ΔH_f, kcal/mol:	-42.57
Dipole, Da:	5.28
IP(EA), eV:	-9.13(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]sulfanylpropanoate

Drug info:

PubChemData

Smile

C1CC(=O)NC2=NC=CC(=C21)OC3=CC4=C(C=C3)OCC(O4)C5=NC=C(N5)C6=CC=CC=C6

DOS

IR

Vibrations