Geometry & MOs

Info

ID:	436218
PubChem CID:	135195277
Reduced:	NF2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	368.194737
ΔH_f, kcal/mol:	-190.79
Dipole, Da:	2.75
IP(EA), eV:	-9.76(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S,3S)-2-(hex-5-ynoylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C1=C(C=C(C=C1)F)F)C(C)C)OC(=O)[C@H](C)N

DOS

IR

Vibrations