Geometry & MOs

Info

ID:	191684
PubChem CID:	78176749
Reduced:	SN3O4C18H23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	448.091351
ΔH_f, kcal/mol:	-152.83
Dipole, Da:	6.15
IP(EA), eV:	-9.19(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[(2-amino-4-oxo-4aH-pteridin-6-yl)methylamino]-1,3-thiazole-5-carbonyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CC1C(C(=O)NC(=O)N1)C=CC(=O)NC(CO)CSCC2=CC=CC=C2

DOS

IR

Vibrations