Geometry & MOs

Info

ID:	44922
PubChem CID:	10506544
Reduced:	N5O6C28H35 (1)
Stoich.:	A5B6C28D35 (1)
Weight, g/mol:	537.182124
ΔH_f, kcal/mol:	-184.71
Dipole, Da:	5.7
IP(EA), eV:	-9.39(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2-[(4-methoxyphenyl)methylsulfanyl]-6-oxo-6-phenylmethoxy-3-(phenylmethoxycarbonylamino)hexanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)/N=C(\C1=CC=C(C=C1)C2=NOC(C2)CC(=O)N[C@H](CCC3=CC=CC=N3)CC(=O)OC)/N

DOS

IR

Vibrations