Geometry & MOs

Info

ID:	244228
PubChem CID:	99319510
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	385.182398
ΔH_f, kcal/mol:	-107.12
Dipole, Da:	2.51
IP(EA), eV:	-9.31(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-3-yl]propanamide

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC[C@H](C3)NC(=O)CC

DOS

IR

Vibrations