Geometry & MOs

Info

ID:	302168
PubChem CID:	124352213
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	410.126006
ΔH_f, kcal/mol:	-105.02
Dipole, Da:	1.34
IP(EA), eV:	-8.64(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-3-methyl-2-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamoylamino]pentanoic acid

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1CC2=C(C=CC3=C2C(=C(C=C3)OC)C1)O

DOS

IR

Vibrations