Geometry & MOs

Info

ID:	146901
PubChem CID:	53768962
Reduced:	FPCl2N3O3H17C18 (1)
Stoich.:	ABC2D3E3F17G18 (1)
Weight, g/mol:	385.200156
ΔH_f, kcal/mol:	-91.0
Dipole, Da:	2.88
IP(EA), eV:	-9.38(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[5-(4-carbamimidoylphenyl)-2,2-dimethyl-5-oxopent-3-enoyl]piperidin-4-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NF)C(=O)NCC(=O)NC(CC(=O)P)C2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations