Geometry & MOs

Info

ID:	186030
PubChem CID:	77382236
Reduced:	BrN2C15H18 (2)
Stoich.:	AB2C15D18 (2)
Weight, g/mol:	442.148849
ΔH_f, kcal/mol:	83.42
Dipole, Da:	7.52
IP(EA), eV:	-7.74(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[2-(2-amino-4-oxo-4aH-furo[2,3-d]pyrimidin-6-yl)propyl]benzoyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CC1=CC2C=C3C(=CC(=CC4C(=C(C(=CC5=C(C(=C(N5)C=C1N2)C)CCCBr)N4)CCCBr)C)N3)C

DOS

IR

Vibrations