Geometry & MOs

Info

ID:	39194
PubChem CID:	8139895
Reduced:	N3O6H17C19 (1)
Stoich.:	A3B6C17D19 (1)
Weight, g/mol:	394.111791
ΔH_f, kcal/mol:	-70.0
Dipole, Da:	4.46
IP(EA), eV:	-9.26(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)sulfonyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC(=O)O[C@@H](C)C2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations