Geometry & MOs

Info

ID:	150532
PubChem CID:	53790225
Reduced:	SN4O6C40H58 (1)
Stoich.:	AB4C6D40E58 (1)
Weight, g/mol:	446.97855
ΔH_f, kcal/mol:	-287.91
Dipole, Da:	8.62
IP(EA), eV:	-8.29(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(4-bromophenyl)pyridin-2-yl]carbamoyl]-2-chloro-6-fluorobenzamide

Drug info:

PubChemData

Smile

CC(C)C[C@](C1COC2=C1C=C(C=C2)S)(C(=O)N[C@@H](CC3CCCCC3)[C@H](CC(=O)NCC(C)C)O)N(C(=O)C)C(=O)[C@H](CC4=CC=CC=C4)N

DOS

IR

Vibrations