Geometry & MOs

Info

ID:	11608
PubChem CID:	118159
Reduced:	O5N8C22H26 (1)
Stoich.:	A5B8C22D26 (1)
Weight, g/mol:	482.202616
ΔH_f, kcal/mol:	-117.99
Dipole, Da:	1.76
IP(EA), eV:	-8.66(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate

Drug info:

PubChemData

Smile

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)OC)C(=O)OC

DOS

IR

Vibrations