Geometry & MOs

Info

ID:	57631
PubChem CID:	22428251
Reduced:	SN4O5C29H30 (1)
Stoich.:	AB4C5D29E30 (1)
Weight, g/mol:	542.162391
ΔH_f, kcal/mol:	-131.52
Dipole, Da:	4.49
IP(EA), eV:	-9.14(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]phenyl]-N-(furan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1CCC(=CC1)CCNC(=O)CN2C3=C(C(=O)N(C2=O)C4=CC=C(C=C4)CC(=O)NCC5=CC=CO5)SC=C3

DOS

IR

Vibrations