Geometry & MOs

Info

ID:	393680
PubChem CID:	135021468
Reduced:	NSO4H21C24 (1)
Stoich.:	ABC4D21E24 (1)
Weight, g/mol:	539.176644
ΔH_f, kcal/mol:	-96.83
Dipole, Da:	6.12
IP(EA), eV:	-9.09(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(4-methoxyphenyl)methylsulfanyl]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H]([C@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)S

DOS

IR

Vibrations