Geometry & MOs

Info

ID:	141005
PubChem CID:	52798849
Reduced:	SO3N4C24H24 (1)
Stoich.:	AB3C4D24E24 (1)
Weight, g/mol:	367.192963
ΔH_f, kcal/mol:	-21.58
Dipole, Da:	9.28
IP(EA), eV:	-9.04(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[2-[(2R)-2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1=CC=C(C=C1)CN2C=NC3=CC=CC=C32)NS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations