Geometry & MOs

Info

ID:	61159
PubChem CID:	26706414
Reduced:	O2Cl3N4C23H23 (1)
Stoich.:	A2B3C4D23E23 (1)
Weight, g/mol:	434.184172
ΔH_f, kcal/mol:	-48.96
Dipole, Da:	4.44
IP(EA), eV:	-8.95(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-2-[[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)C1=CC=CC=C1NC(=O)C2=C(N(N=C2C)CC3=C(C=C(C=C3)Cl)Cl)Cl

DOS

IR

Vibrations