Geometry & MOs

Info

ID:	328306
PubChem CID:	126700651
Reduced:	NSO4C11H21 (1)
Stoich.:	ABC4D11E21 (1)
Weight, g/mol:	601.17033
ΔH_f, kcal/mol:	-201.71
Dipole, Da:	5.41
IP(EA), eV:	-9.51(-0.15)
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]-5-[[2-[(1-carboxy-2-sulfanylethyl)amino]-2-oxoethyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)CCOCCC(=O)N[C@H](CS)C(=O)O

DOS

IR

Vibrations