Geometry & MOs

Info

ID:	307249
PubChem CID:	125293029
Reduced:	O2N7C14H19 (1)
Stoich.:	A2B7C14D19 (1)
Weight, g/mol:	373.179027
ΔH_f, kcal/mol:	7.83
Dipole, Da:	7.37
IP(EA), eV:	-8.55(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,11S)-N-[(2S)-butan-2-yl]-9-oxo-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-3,5,7,13,15,17,19-heptaene-11-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=C([C@H](N1)C)CNC(=O)C(=O)NC2=C(C=NN2)C#N)C

DOS

IR

Vibrations