Geometry & MOs

Info

ID:	188275
PubChem CID:	77692310
Reduced:	ClO4N5C32H34 (1)
Stoich.:	AB4C5D32E34 (1)
Weight, g/mol:	362.12019
ΔH_f, kcal/mol:	-127.98
Dipole, Da:	9.39
IP(EA), eV:	-8.59(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-3-(3-carbamimidoylphenyl)propanamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C1CNCCC1OC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N4CC5=C(C4)C=C(C=C5)NC(=O)C6=CC=CC=C6.Cl

DOS

IR

Vibrations