Geometry & MOs

Info

ID:	448645
PubChem CID:	135292444
Reduced:	N2O3C12H16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	490.083109
ΔH_f, kcal/mol:	-102.36
Dipole, Da:	2.0
IP(EA), eV:	-9.7(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-chloro-5-[(3-cyano-4-fluoroanilino)-hydroxymethyl]-4-fluoro-1-methylpyrrol-3-yl]-2-oxo-N-[1-(trifluoromethyl)cyclobutyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C(=O)C1=CN(C(=C1)C=O)C

DOS

IR

Vibrations