Geometry & MOs

Info

ID:	379454
PubChem CID:	134419538
Reduced:	O2C15H24 (1)
Stoich.:	A2B15C24 (1)
Weight, g/mol:	712.329273
ΔH_f, kcal/mol:	-116.23
Dipole, Da:	2.82
IP(EA), eV:	-9.3(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[2-[2-[2-[2-(2,2-dimethyl-4-oxoimidazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)CC(CC1=CC=CC=C1CCO)O

DOS

IR

Vibrations