Geometry & MOs

Info

ID:	420330
PubChem CID:	135112518
Reduced:	N2S2O3C14H22 (1)
Stoich.:	A2B2C3D14E22 (1)
Weight, g/mol:	361.163771
ΔH_f, kcal/mol:	-91.17
Dipole, Da:	6.34
IP(EA), eV:	-8.51(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-dihydroxypropan-2-yl)-5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)S(=O)(=O)N2C[C@H]3CN([C@@H](C2)COC3)C

DOS

IR

Vibrations