Geometry & MOs

Info

ID:	82807
PubChem CID:	49856571
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	570.182274
ΔH_f, kcal/mol:	-125.91
Dipole, Da:	3.23
IP(EA), eV:	-8.96(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-5-[(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-4-carboxybutanoyl]oxy-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCCN1CCC2(CC1)CC(=O)C3=C(O2)C=C(C=C3)O

DOS

IR

Vibrations