Geometry & MOs

Info

ID:	191551
PubChem CID:	78162943
Reduced:	SBr2O2N4C22H30 (1)
Stoich.:	AB2C2D4E22F30 (1)
Weight, g/mol:	493.12728
ΔH_f, kcal/mol:	24.19
Dipole, Da:	3.1
IP(EA), eV:	-8.34(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4-bromophenyl)methyl-[3,3-dimethyl-2-[(4-nitrophenyl)carbamothioylamino]butyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC(C)(C)C(C[N+](C)(C)CC1=CC=C(C=C1)Br)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-].[Br-]

DOS

IR

Vibrations