Geometry & MOs

Info

ID:	178188
PubChem CID:	76291325
Reduced:	FO3N4C26H35 (1)
Stoich.:	AB3C4D26E35 (1)
Weight, g/mol:	422.21001
ΔH_f, kcal/mol:	-133.77
Dipole, Da:	7.62
IP(EA), eV:	-8.79(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-ethyl-2,4-dioxo-7-propan-2-yl-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)NCC(=O)N(C)CCCCCC2CC(NN2)C3=CC(=CC=C3)F

DOS

IR

Vibrations