Geometry & MOs

Info

ID:	162001
PubChem CID:	57393281
Reduced:	BrCl2O2N7C21H30 (1)
Stoich.:	AB2C2D7E21F30 (1)
Weight, g/mol:	568.280291
ΔH_f, kcal/mol:	-69.67
Dipole, Da:	13.67
IP(EA), eV:	-7.7(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[4-[3-(4-phenylmethoxyphenyl)propanoylamino]butyl]azanium

Drug info:

PubChemData

Smile

C[N+](C)(CCCCNC(=O)CC1=CC=C(C=C1)Cl)CCNC(=O)C2=C(N=C(C(=N2)Cl)N)N.[Br-]

DOS

IR

Vibrations