Geometry & MOs

Info

ID:	36177
PubChem CID:	7980854
Reduced:	N2O3C26H30 (1)
Stoich.:	A2B3C26D30 (1)
Weight, g/mol:	420.204907
ΔH_f, kcal/mol:	-103.42
Dipole, Da:	10.73
IP(EA), eV:	-8.27(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]-N-phenylbenzamide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC4=CC=CC=C4C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations