Geometry & MOs

Info

ID:	140882
PubChem CID:	52776198
Reduced:	OSN3C23H27 (1)
Stoich.:	ABC3D23E27 (1)
Weight, g/mol:	401.12285
ΔH_f, kcal/mol:	15.05
Dipole, Da:	4.38
IP(EA), eV:	-8.85(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-1-(4-methylphenyl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H](CNC(=O)CC2=CC=C(C=C2)C3=CSC(=N3)C)N(C)C

DOS

IR

Vibrations