Geometry & MOs

Info

ID:	84499
PubChem CID:	49866980
Reduced:	NPSC6O6H14 (1)
Stoich.:	ABCD6E6F14 (1)
Weight, g/mol:	567.245976
ΔH_f, kcal/mol:	-330.7
Dipole, Da:	3.43
IP(EA), eV:	-9.75(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-5-[[(2S)-6-amino-1-[[(2S)-4-chloro-3-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C[C@H]([C@H](O)P(=O)(O)O)SC[C@@H](C(=O)O)N

DOS

IR

Vibrations