Geometry & MOs

Info

ID:	82949
PubChem CID:	49856865
Reduced:	NO5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	346.192629
ΔH_f, kcal/mol:	-173.88
Dipole, Da:	5.22
IP(EA), eV:	-9.09(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

CN1CC[C@H]2[C@@H]1[C@@H]3[C@H]([C@H](C2)O)OC(=O)C4=CC5=C(C=C34)OCO5

DOS

IR

Vibrations