Geometry & MOs

Info

ID:	121818
PubChem CID:	50782566
Reduced:	N4O5C25H32 (1)
Stoich.:	A4B5C25D32 (1)
Weight, g/mol:	467.141197
ΔH_f, kcal/mol:	-181.83
Dipole, Da:	2.41
IP(EA), eV:	-9.0(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chlorobenzoyl)amino]-5-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)OC)C(=O)O

DOS

IR

Vibrations