Geometry & MOs

Info

ID:	308487
PubChem CID:	125333234
Reduced:	O2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	430.200491
ΔH_f, kcal/mol:	-46.55
Dipole, Da:	7.08
IP(EA), eV:	-9.52(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-3-[(1R,2R)-2-methyl-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-9,11,13,15-tetraen-4-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC2=NC(=O)[C@@H](C(=N2)C)CCO

DOS

IR

Vibrations