Geometry & MOs

Info

ID:	436900
PubChem CID:	135212757
Reduced:	SN3O5C32H37 (1)
Stoich.:	AB3C5D32E37 (1)
Weight, g/mol:	324.220164
ΔH_f, kcal/mol:	-145.81
Dipole, Da:	2.54
IP(EA), eV:	-8.99(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(dimethylamino)-3-propan-2-ylphenyl]-2-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C2=CC=C(C=C2)C3[C@@H]4CN(CCCCN4C3CO)S(=O)(=O)C5=CC6=C(C=C5C)NC(=O)CO6)C

DOS

IR

Vibrations