Geometry & MOs

Info

ID:	352823
PubChem CID:	127283913
Reduced:	FSO2N3C19H26 (1)
Stoich.:	ABC2D3E19F26 (1)
Weight, g/mol:	391.113667
ΔH_f, kcal/mol:	-122.62
Dipole, Da:	1.59
IP(EA), eV:	-8.88(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(8lambda4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)F)NC(=O)CN2CCCC2C(=O)N3CCSCC3

DOS

IR

Vibrations