Geometry & MOs

Info

ID:	415721
PubChem CID:	135088721
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	623.379518
ΔH_f, kcal/mol:	-37.99
Dipole, Da:	3.7
IP(EA), eV:	-9.34(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R,8R)-2-benzyl-5-methyl-8-propan-2-yl-14-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-1,4,7,10,14-pentazacyclooctadecane-3,6,9,18-tetrone

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)CC(=O)N[C@H]3COC[C@H]3CC4=CC=NC=C4

DOS

IR

Vibrations