Geometry & MOs

Info

ID:	421448
PubChem CID:	135116025
Reduced:	N2O3C17H22 (1)
Stoich.:	A2B3C17D22 (1)
Weight, g/mol:	516.240641
ΔH_f, kcal/mol:	-82.61
Dipole, Da:	4.72
IP(EA), eV:	-8.72(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5R)-2-methyl-5-propan-2-yl-11-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/CN2C[C@@H]3COC[C@H](C2)NC3=O

DOS

IR

Vibrations