Geometry & MOs

Info

ID:	34424
PubChem CID:	7972459
Reduced:	FSN2O4C14H17 (1)
Stoich.:	ABC2D4E14F17 (1)
Weight, g/mol:	416.200788
ΔH_f, kcal/mol:	-209.94
Dipole, Da:	2.25
IP(EA), eV:	-9.01(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide

Drug info:

PubChemData

Smile

CCNC(=O)NC(=O)COC(=O)CCSC1=CC=C(C=C1)F

DOS

IR

Vibrations