Geometry & MOs

Info

ID:	190083
PubChem CID:	77951459
Reduced:	SO2N4C26H42 (1)
Stoich.:	AB2C4D26E42 (1)
Weight, g/mol:	314.145285
ΔH_f, kcal/mol:	-79.22
Dipole, Da:	4.19
IP(EA), eV:	-8.8(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methyl-5-[2-(4-methylphenyl)ethyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone

Drug info:

PubChemData

Smile

CCC1CCC(C2CCC2C1)NC(=O)C3=C(N(N=C3)C=CC(C)(C)C(=O)NCC)SC(C)C

DOS

IR

Vibrations