Geometry & MOs

Info

ID:	176702
PubChem CID:	76084140
Reduced:	N2S2O3C10H14 (1)
Stoich.:	A2B2C3D10E14 (1)
Weight, g/mol:	817.618017
ΔH_f, kcal/mol:	-91.22
Dipole, Da:	4.88
IP(EA), eV:	-9.36(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC(CSCC(=S)CCC#N)C(=O)O

DOS

IR

Vibrations