Geometry & MOs

Info

ID:	140944
PubChem CID:	52787701
Reduced:	O2N4C27H38 (1)
Stoich.:	A2B4C27D38 (1)
Weight, g/mol:	313.194974
ΔH_f, kcal/mol:	-59.09
Dipole, Da:	4.59
IP(EA), eV:	-8.63(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[(3,4-dimethylphenyl)sulfonylamino]butyl-methyl-propan-2-ylazanium

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CN(CC)[C@H]2CCN(C2)[C@@H](C)C3=CC=CC=C3

DOS

IR

Vibrations