Geometry & MOs

Info

ID:	328257
PubChem CID:	126700418
Reduced:	O5N8C27H32 (1)
Stoich.:	A5B8C27D32 (1)
Weight, g/mol:	436.160751
ΔH_f, kcal/mol:	-117.26
Dipole, Da:	10.58
IP(EA), eV:	-8.8(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-N-[(3S)-2,6-dioxooxan-3-yl]benzamide

Drug info:

PubChemData

Smile

C1CC/C=C/C(CC1)OC(=O)[C@@H](CCC(=O)O)NC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=NC(=N4)N)N

DOS

IR

Vibrations