Geometry & MOs

Info

ID:	70432
PubChem CID:	48413339
Reduced:	NSO6C16H23 (1)
Stoich.:	ABC6D16E23 (1)
Weight, g/mol:	349.134779
ΔH_f, kcal/mol:	-210.52
Dipole, Da:	5.3
IP(EA), eV:	-8.95(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropyl(3,4-dihydronaphthalen-2-ylsulfonyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(C1CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations