Geometry & MOs

Info

ID:	129738
PubChem CID:	51073687
Reduced:	OSN4C18H24 (1)
Stoich.:	ABC4D18E24 (1)
Weight, g/mol:	300.107854
ΔH_f, kcal/mol:	8.51
Dipole, Da:	3.67
IP(EA), eV:	-9.19(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)SC3=NN=CN3C

DOS

IR

Vibrations