Geometry & MOs

Info

ID:	363050
PubChem CID:	127310081
Reduced:	NSO3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	357.205242
ΔH_f, kcal/mol:	-126.13
Dipole, Da:	4.33
IP(EA), eV:	-9.14(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[2-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]acetyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2CC1CC(=O)N3CCS(=O)(=O)CC3

DOS

IR

Vibrations