Geometry & MOs

Info

ID:	176715
PubChem CID:	76086776
Reduced:	SO6C8H15 (2)
Stoich.:	AB6C8D15 (2)
Weight, g/mol:	342.243836
ΔH_f, kcal/mol:	-562.27
Dipole, Da:	3.35
IP(EA), eV:	-9.01(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-[ethanimidoyl(methyl)amino]-3-methylhexanoyl]-methylamino]-3-[[hydroxy(methyl)boranyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C(CCS)CC1(C(OC(C(C1(O)O)(O)O)S)CO)OC2C(C(C(C(O2)CO)O)O)O

DOS

IR

Vibrations