Geometry & MOs

Info

ID:	420706
PubChem CID:	135114686
Reduced:	NSO2C8H12 (2)
Stoich.:	ABC2D8E12 (2)
Weight, g/mol:	388.211055
ΔH_f, kcal/mol:	-160.55
Dipole, Da:	5.69
IP(EA), eV:	-8.35(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(dimethylamino)-2-hydroxypropyl]-5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=C3CCCCC3=CS2

DOS

IR

Vibrations