Geometry & MOs

Info

ID:	311352
PubChem CID:	126590643
Reduced:	N2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	399.164165
ΔH_f, kcal/mol:	63.07
Dipole, Da:	0.88
IP(EA), eV:	-8.79(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(1S)-1-carboxy-5-(pent-4-ynoylamino)pentyl]carbamoylamino]pentanedioic acid

Drug info:

PubChemData

Smile

CC1=NC(=NC(=N1)NC2=CC=C(C=C2)C(=C)C)C

DOS

IR

Vibrations