Geometry & MOs

Info

ID:	330749
PubChem CID:	127248156
Reduced:	SO3N4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	409.175004
ΔH_f, kcal/mol:	-39.77
Dipole, Da:	2.18
IP(EA), eV:	-9.3(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-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)C(=O)C4=C(N=C(S4)C)C)C(=O)NC

DOS

IR

Vibrations