Geometry & MOs

Info

ID:	177993
PubChem CID:	76261409
Reduced:	SN3O3C19H23 (1)
Stoich.:	AB3C3D19E23 (1)
Weight, g/mol:	418.088181
ΔH_f, kcal/mol:	-63.8
Dipole, Da:	1.05
IP(EA), eV:	-8.64(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2,4-dioxo-4a,5,6,7,8,8a-hexahydro-1H-pyrido[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC1CC(NN1)C(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations