Geometry & MOs

Info

ID:	358864
PubChem CID:	127296735
Reduced:	SO2N5C20H25 (1)
Stoich.:	AB2C5D20E25 (1)
Weight, g/mol:	371.177982
ΔH_f, kcal/mol:	-7.26
Dipole, Da:	5.93
IP(EA), eV:	-9.18(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)NC3CCN(CC3)C(=O)C4CC4

DOS

IR

Vibrations