Geometry & MOs

Info

ID:	33133
PubChem CID:	7885088
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	422.184172
ΔH_f, kcal/mol:	-130.57
Dipole, Da:	6.51
IP(EA), eV:	-8.84(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)C2=C(N(C(=C2)C)CC=C)C)C

DOS

IR

Vibrations