Geometry & MOs

Info

ID:	49267
PubChem CID:	11532464
Reduced:	N5O5C23H23 (1)
Stoich.:	A5B5C23D23 (1)
Weight, g/mol:	448.25387
ΔH_f, kcal/mol:	-139.11
Dipole, Da:	8.28
IP(EA), eV:	-8.64(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C=C(C[C@@H](C(=O)O)NC(=O)C1=CC=C(C=C1)CCC2=CC3=C(C=C2)N=C(N=C3N)N)C(=O)O

DOS

IR

Vibrations