Geometry & MOs

Info

ID:	223759
PubChem CID:	85335535
Reduced:	NO2C10H13 (3)
Stoich.:	AB2C10D13 (3)
Weight, g/mol:	538.27645
ΔH_f, kcal/mol:	-248.51
Dipole, Da:	2.88
IP(EA), eV:	-8.96(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-aminopentylamino)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2CCC3C2CCO3)O)C4C5=C(C=C(C=C5)O)NC4=O

DOS

IR

Vibrations