Geometry & MOs

Info

ID:	395224
PubChem CID:	135024957
Reduced:	SO8C21H24 (1)
Stoich.:	AB8C21D24 (1)
Weight, g/mol:	494.216535
ΔH_f, kcal/mol:	-284.26
Dipole, Da:	3.93
IP(EA), eV:	-8.81(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-2-[[2-[(4S)-1-ethyl-3-(ethylcarbamoyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC(=O)OCC1[C@@H](C(C([C@@H](O1)SC2=CC=CC=C2)OC(=O)C)OCC#C)OC(=O)C

DOS

IR

Vibrations