Geometry & MOs

Info

ID:	235466
PubChem CID:	92709731
Reduced:	N2O3C22H22 (1)
Stoich.:	A2B3C22D22 (1)
Weight, g/mol:	362.163043
ΔH_f, kcal/mol:	-49.92
Dipole, Da:	1.87
IP(EA), eV:	-8.3(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H](CC(=O)NC2=CC3=C(C=C2)OCCO3)N4C=CC=C4

DOS

IR

Vibrations