Geometry & MOs

Info

ID:	49876
PubChem CID:	11534088
Reduced:	BrFO2N5C27H27 (1)
Stoich.:	ABC2D5E27F27 (1)
Weight, g/mol:	552.241979
ΔH_f, kcal/mol:	-42.15
Dipole, Da:	7.65
IP(EA), eV:	-8.94(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[N-cyano-N'-(2-piperidin-1-ylethyl)carbamimidoyl]amino]phenyl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=N)C2=CC=C(C=C2)NC(=O)C(C3=CC=CC=C3F)NC(=O)NC4=CC=C(C=C4)Br

DOS

IR

Vibrations