Geometry & MOs

Info

ID:	205589
PubChem CID:	80124255
Reduced:	NSO2C16H25 (1)
Stoich.:	ABC2D16E25 (1)
Weight, g/mol:	420.93115
ΔH_f, kcal/mol:	-104.89
Dipole, Da:	4.2
IP(EA), eV:	-8.81(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2,6-difluorophenyl)-1-(3-bromo-4-methoxyphenyl)-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)CSC(C)CC(C)(C(=O)OC)N)C

DOS

IR

Vibrations