Geometry & MOs

Info

ID:	143023
PubChem CID:	53134219
Reduced:	ClO2N5H20C21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	369.151098
ΔH_f, kcal/mol:	43.72
Dipole, Da:	6.12
IP(EA), eV:	-9.07(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methoxyphenyl)ethyl]-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2=NN=C(O2)C3=C(N=CC=C3)N4CCN(CC4)C(=O)C5=CC=CC=C5Cl

DOS

IR

Vibrations