Geometry & MOs

Info

ID:	57632
PubChem CID:	22428252
Reduced:	SN4O5H26C29 (1)
Stoich.:	AB4C5D26E29 (1)
Weight, g/mol:	544.141656
ΔH_f, kcal/mol:	-105.59
Dipole, Da:	8.73
IP(EA), eV:	-9.04(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-4-[[1-[2-(2-methoxyanilino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CN2C3=C(C(=O)N(C2=O)C4=CC=C(C=C4)CC(=O)NCC5=CC=CO5)SC=C3

DOS

IR

Vibrations