Geometry & MOs

Info

ID:	84496
PubChem CID:	49866891
Reduced:	S2O3C5H10 (1)
Stoich.:	A2B3C5D10 (1)
Weight, g/mol:	597.305015
ΔH_f, kcal/mol:	-142.07
Dipole, Da:	3.51
IP(EA), eV:	-9.16(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-6-[[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]amino]-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoate

Drug info:

PubChemData

Smile

C([C@@H]1[C@H](OC(O1)O)CS)S

DOS

IR

Vibrations