Geometry & MOs

Info

ID:	312395
PubChem CID:	126604609
Reduced:	O5N7C28H37 (1)
Stoich.:	A5B7C28D37 (1)
Weight, g/mol:	538.265216
ΔH_f, kcal/mol:	-178.85
Dipole, Da:	14.67
IP(EA), eV:	-8.98(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-6-[[(2S)-2-methylpentanoyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CCCC(C)N(CCCC[C@@H](C(=O)O)NC(=O)C1=CC=C(C=C1)NCC2=CN=C3C=C(NC(=O)C3=N2)N)C(=O)C

DOS

IR

Vibrations