Geometry & MOs

Info

ID:	31907
PubChem CID:	3723212
Reduced:	SN5O6H23C30 (1)
Stoich.:	AB5C6D23E30 (1)
Weight, g/mol:	305.137556
ΔH_f, kcal/mol:	-31.22
Dipole, Da:	1.73
IP(EA), eV:	-8.77(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl)amino]propanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)C=NNC(=O)C(=O)NC4=NN=C(S4)C5=CC=CC=C5)OC

DOS

IR

Vibrations