Geometry & MOs

Info

ID:	437708
PubChem CID:	135226873
Reduced:	O2C9H16 (4)
Stoich.:	A2B9C16 (4)
Weight, g/mol:	424.04318
ΔH_f, kcal/mol:	-446.22
Dipole, Da:	1.96
IP(EA), eV:	-9.39(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-(cyclopropylsulfonimidoyl)-N-[4-(trifluoromethyl)cyclohexyl]aniline

Drug info:

PubChemData

Smile

CC(C)OC1CC(C(C(C1)OC(C)C)(C)OC(C(=C)C)O)CC(C)(C)OC2CC(CCC2(C)OC(=O)C(=C)C)OC(C)(C)C

DOS

IR

Vibrations