Geometry & MOs

Info

ID:	128690
PubChem CID:	51054135
Reduced:	OS2N5C18H23 (1)
Stoich.:	AB2C5D18E23 (1)
Weight, g/mol:	354.115047
ΔH_f, kcal/mol:	32.32
Dipole, Da:	5.2
IP(EA), eV:	-9.3(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-carbamoylphenyl)-4-propyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCCCC1=C(SC(=N1)N2C=CC=C2)C(=O)NC3=NN=C(S3)CC(C)C

DOS

IR

Vibrations