Geometry & MOs

Info

ID:	297648
PubChem CID:	117624723
Reduced:	SN20O22C83H114 (1)
Stoich.:	AB20C22D83E114 (1)
Weight, g/mol:	246.194343
ΔH_f, kcal/mol:	-852.77
Dipole, Da:	28.69
IP(EA), eV:	-7.37(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-butoxy-1-tert-butylperoxybutan-2-yl)diazene

Drug info:

Smile

CCCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSCC(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N3C[C@@H](C[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N1C)CCCC)C)CC4=CNC5=CC=CC=C54)CO)CC6=CNC7=CC=CC=C76)O)CC(=O)O)CN)CC(=O)N)C)C)CC8=CC=C(C=C8)O)C(=O)NCC(=O)N)C

DOS

IR

Vibrations