Geometry & MOs

Info

ID:	148824
PubChem CID:	53788493
Reduced:	NSO3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	789.586717
ΔH_f, kcal/mol:	-116.01
Dipole, Da:	4.64
IP(EA), eV:	-9.11(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-[[(2R,3R,4R,5S,6R)-2-[dodecyl(hexadecanoyl)amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCC(=O)OC(=O)[C@H](CSCC1=CC=CC=C1)N

DOS

IR

Vibrations