Geometry & MOs

Info

ID:	139448
PubChem CID:	52532183
Reduced:	N2S2O3H18C19 (1)
Stoich.:	A2B2C3D18E19 (1)
Weight, g/mol:	370.117356
ΔH_f, kcal/mol:	-41.84
Dipole, Da:	2.44
IP(EA), eV:	-8.75(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CC=C(S2)CCNC(=O)[C@H]3COC4=CC=CC=C4O3

DOS

IR

Vibrations