Geometry & MOs

Info

ID:	166190
PubChem CID:	74649058
Reduced:	SN4O5C21H30 (1)
Stoich.:	AB4C5D21E30 (1)
Weight, g/mol:	416.106289
ΔH_f, kcal/mol:	-141.76
Dipole, Da:	3.68
IP(EA), eV:	-8.69(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-(difluoromethoxy)phenyl]-1-ethyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)NC(C)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations