Geometry & MOs

Info

ID:	421684
PubChem CID:	135116424
Reduced:	O4N7C26H35 (1)
Stoich.:	A4B7C26D35 (1)
Weight, g/mol:	541.32642
ΔH_f, kcal/mol:	-81.48
Dipole, Da:	7.76
IP(EA), eV:	-8.7(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCN2C=CN=C2C3=CC(=C(C=C3)OC)OCCN(CC(=O)N1)CC4=NC=CN4C

DOS

IR

Vibrations