Geometry & MOs

Info

ID:	215697
PubChem CID:	85085105
Reduced:	O13N18C55H90 (1)
Stoich.:	A13B18C55D90 (1)
Weight, g/mol:	1212.60902
ΔH_f, kcal/mol:	-590.28
Dipole, Da:	10.36
IP(EA), eV:	-9.27(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

Smile

CCC(C)C(C(=O)N(CC(=O)O)C1CCCCC1)NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(C(C)O)NC(=O)C(CC2=CN=CN2)NC(=O)C(CCC3=CC=CC=C3)NC(=O)C(C)NC(=O)C(CCCN=C(N)N)N

DOS

IR

Vibrations