Geometry & MOs

Info

ID:	57629
PubChem CID:	22427566
Reduced:	FO2N4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	540.123419
ΔH_f, kcal/mol:	-11.56
Dipole, Da:	3.17
IP(EA), eV:	-8.8(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-(4-methoxyphenyl)butanamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=NO1)C(=O)NC2=CN(N=C2)CC3=CC=C(C=C3)F

DOS

IR

Vibrations