Geometry & MOs

Info

ID:	367180
PubChem CID:	127323946
Reduced:	FSO2N3C21H22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	385.247775
ΔH_f, kcal/mol:	-92.59
Dipole, Da:	3.28
IP(EA), eV:	-8.67(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-(3-carbamoylpyridin-2-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CSC2=C(C1NC(=O)N3CCNC(=O)CC3C4=CC=CC=C4)C=C(C=C2)F

DOS

IR

Vibrations