Geometry & MOs

Info

ID:	49875
PubChem CID:	11534082
Reduced:	O4N5C32H33 (1)
Stoich.:	A4B5C32D33 (1)
Weight, g/mol:	551.13322
ΔH_f, kcal/mol:	-90.06
Dipole, Da:	8.22
IP(EA), eV:	-9.06(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromophenyl)carbamoylamino]-2-(2-fluorophenyl)-N-[4-(piperidine-1-carboximidoyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C(=C1C2=CC=CC=C2)NC(=O)CCCC(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N)C4=CC=CC=C4

DOS

IR

Vibrations