Geometry & MOs

Info

ID:	302572
PubChem CID:	124385143
Reduced:	NSO4C13H19 (1)
Stoich.:	ABC4D13E19 (1)
Weight, g/mol:	498.178435
ΔH_f, kcal/mol:	-111.34
Dipole, Da:	6.57
IP(EA), eV:	-8.61(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-amino-5-[[(2S)-1-[(2-ethoxy-2-oxoethyl)amino]-3-[hydroxy(phenyl)carbamoyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoate

Drug info:

PubChemData

Smile

CCCC[C@H]([C@@H](C(=O)NO)O)[S@@](=O)C1=CC=CC=C1

DOS

IR

Vibrations