Geometry & MOs

Info

ID:	138001
PubChem CID:	52297904
Reduced:	ClOSN2H17C18 (1)
Stoich.:	ABCD2E17F18 (1)
Weight, g/mol:	443.06402
ΔH_f, kcal/mol:	12.94
Dipole, Da:	4.62
IP(EA), eV:	-9.27(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2-bromo-4,5-dimethoxyphenyl)methyl-[(1S)-1-[4-(methanesulfonamido)phenyl]ethyl]azanium

Drug info:

PubChemData

Smile

CC1=C(C=C2C=C(C=CC2=N1)Cl)C(=O)N(C)[C@H](C)C3=CC=CS3

DOS

IR

Vibrations