Geometry & MOs

Info

ID:	179356
PubChem CID:	76469552
Reduced:	BrPN2O9C21H34 (1)
Stoich.:	ABC2D9E21F34 (1)
Weight, g/mol:	468.160912
ΔH_f, kcal/mol:	-488.33
Dipole, Da:	3.46
IP(EA), eV:	-10.28(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluoro-5-methoxyphenyl)-N-(5-fluoropyridin-2-yl)-2-[4-(methoxymethyl)-2-methylpyrimidine-5-carbonyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)OCOP(=O)(CC=CCN1CC(C(=O)NC1=O)Br)OCOC(=O)C(C)(C)C

DOS

IR

Vibrations