Geometry & MOs

Info

ID:	417482
PubChem CID:	135095329
Reduced:	N4O4C17H20 (1)
Stoich.:	A4B4C17D20 (1)
Weight, g/mol:	488.29987
ΔH_f, kcal/mol:	-9.16
Dipole, Da:	6.04
IP(EA), eV:	-9.38(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-2-[(4-methoxyphenyl)methyl]-4,5-dimethyl-11-(3-methylbutanoyl)-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)CC3=NC(=NO3)C4=CC=CO4

DOS

IR

Vibrations