Geometry & MOs

Info

ID:	151431
PubChem CID:	53801268
Reduced:	N2S2O7C16H16 (1)
Stoich.:	A2B2C7D16E16 (1)
Weight, g/mol:	397.261694
ΔH_f, kcal/mol:	-237.39
Dipole, Da:	2.5
IP(EA), eV:	-9.42(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[[1-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-N,2-dimethyl-3-phenylmethoxypropan-1-amine

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(N2[C@@H](C(C2=O)(NC(=O)CC3=CC=CS3)O)SC1)C(=O)O

DOS

IR

Vibrations