Geometry & MOs

Info

ID:	179143
PubChem CID:	76440928
Reduced:	ON6H15C16 (1)
Stoich.:	AB6C15D16 (1)
Weight, g/mol:	712.191308
ΔH_f, kcal/mol:	95.09
Dipole, Da:	10.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.828764
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-[(3-amino-3-carboxypropyl)disulfanyl]-5-(9H-fluoren-9-ylmethoxy)-4-(9H-fluoren-9-ylmethoxycarbonyl)-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C=CC3=C(C2=O)N=NC4=[N+]3NC(=N4)C)C

DOS

IR

Vibrations