Geometry & MOs

Info

ID:	128688
PubChem CID:	51054123
Reduced:	O3N5C24H27 (1)
Stoich.:	A3B5C24D27 (1)
Weight, g/mol:	277.124883
ΔH_f, kcal/mol:	-20.93
Dipole, Da:	8.63
IP(EA), eV:	-8.66(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propan-2-yl-4-propyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)CN2C(=O)C=CC(=N2)N3CCN(CC3)CC4=CC=CC=C4

DOS

IR

Vibrations