Geometry & MOs

Info

ID:	235484
PubChem CID:	92709787
Reduced:	N2O3C24H28 (1)
Stoich.:	A2B3C24D28 (1)
Weight, g/mol:	311.109233
ΔH_f, kcal/mol:	-59.52
Dipole, Da:	5.07
IP(EA), eV:	-8.57(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(3-methylphenyl)-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CNC(=O)C[C@@H](C2=CC=CC=C2C)N3C=CC=C3)OC

DOS

IR

Vibrations