Geometry & MOs

Info

ID:	436071
PubChem CID:	135193682
Reduced:	INSC5H8 (1)
Stoich.:	ABCD5E8 (1)
Weight, g/mol:	330.215472
ΔH_f, kcal/mol:	40.98
Dipole, Da:	3.88
IP(EA), eV:	-8.77(-2.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-(butanoylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate

Drug info:

PubChemData

Smile

C(CC#CSI)CN

DOS

IR

Vibrations