Geometry & MOs

Info

ID:	231259
PubChem CID:	87573250
Reduced:	SO8N9C50H57 (1)
Stoich.:	AB8C9D50E57 (1)
Weight, g/mol:	322.238628
ΔH_f, kcal/mol:	-234.16
Dipole, Da:	4.15
IP(EA), eV:	-8.69(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(N4C5=CC=C(C=C5)S(=O)(=O)C)C6=CC=C(C=C6)C7=CN=C(N7)[C@@H]8CCCN8C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)O

DOS

IR

Vibrations