Geometry & MOs

Info

ID:	419806
PubChem CID:	135109122
Reduced:	NSO2C23H27 (1)
Stoich.:	ABC2D23E27 (1)
Weight, g/mol:	416.185983
ΔH_f, kcal/mol:	-65.26
Dipole, Da:	3.96
IP(EA), eV:	-8.8(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(SC=C2C1)C(=O)N3C[C@H]4CCC[C@@]([C@H]4C3)(C5=CC=CC=C5)O

DOS

IR

Vibrations