Geometry & MOs

Info

ID:	233926
PubChem CID:	92192475
Reduced:	ClN3O4H20C23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	364.145678
ΔH_f, kcal/mol:	-99.4
Dipole, Da:	3.14
IP(EA), eV:	-9.01(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-2-[(S)-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2C(=O)NC3=CC=CC=C3[C@]2(C(=O)NCC4=CC=C(C=C4)Cl)O

DOS

IR

Vibrations