Geometry & MOs

Info

ID:	180234
PubChem CID:	76602461
Reduced:	ReN9O10C51H62 (1)
Stoich.:	AB9C10D51E62 (1)
Weight, g/mol:	305.191072
ΔH_f, kcal/mol:	-103.58
Dipole, Da:	8.28
IP(EA), eV:	-7.8(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1CCCN1C(=O)C(C(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN(CC2=CC=CC=N2)CC3=CC=CC=N3)NC(=O)CC4=CC=C(C=C4)NC(=O)NC5=CC=CC=C5C.[CH+]=O.[C-]=O.[C-]=O.[Re]

DOS

IR

Vibrations