Geometry & MOs

Info

ID:	139548
PubChem CID:	52554750
Reduced:	N3O5C26H35 (1)
Stoich.:	A3B5C26D35 (1)
Weight, g/mol:	464.188212
ΔH_f, kcal/mol:	-205.01
Dipole, Da:	3.95
IP(EA), eV:	-7.87(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)propanoyl-methylamino]methyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1NC(=O)CCCNC(=O)C(C)(C)C)OCC)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations