Geometry & MOs

Info

ID:	60985
PubChem CID:	26703938
Reduced:	N5O5C24H29 (1)
Stoich.:	A5B5C24D29 (1)
Weight, g/mol:	479.216869
ΔH_f, kcal/mol:	-174.16
Dipole, Da:	7.34
IP(EA), eV:	-9.54(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CO2)C(=O)CCNC(=O)C3=CC=CC=C3C)N

DOS

IR

Vibrations