Geometry & MOs

Info

ID:	61040
PubChem CID:	26704614
Reduced:	O3N5C26H29 (1)
Stoich.:	A3B5C26D29 (1)
Weight, g/mol:	494.123561
ΔH_f, kcal/mol:	-67.44
Dipole, Da:	7.41
IP(EA), eV:	-8.24(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-(trifluoromethylsulfanyl)benzamide

Drug info:

PubChemData

Smile

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CN3C(=CC4=CC=CC=C43)C

DOS

IR

Vibrations