Geometry & MOs

Info

ID:	330748
PubChem CID:	127248155
Reduced:	SO2N4C22H26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	438.172562
ΔH_f, kcal/mol:	10.37
Dipole, Da:	4.33
IP(EA), eV:	-9.21(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-N-methyl-3-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NOC(=C2)CC3(CCN(C3)CC4=CN=C(S4)C)C(=O)NC

DOS

IR

Vibrations