Geometry & MOs

Info

ID:	387163
PubChem CID:	134984255
Reduced:	SN2O3C19H26 (1)
Stoich.:	AB2C3D19E26 (1)
Weight, g/mol:	390.197714
ΔH_f, kcal/mol:	-73.69
Dipole, Da:	6.46
IP(EA), eV:	-9.36(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-[(1R,5S,7S)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-3-(2-ethylphenyl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)CN(C(C)C)O

DOS

IR

Vibrations