Geometry & MOs

Info

ID:	223643
PubChem CID:	85335355
Reduced:	N7C26H59 (1)
Stoich.:	A7B26C59 (1)
Weight, g/mol:	476.263485
ΔH_f, kcal/mol:	-34.5
Dipole, Da:	4.95
IP(EA), eV:	-8.76(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-dimethylpropoxycarbonylamino)-3-[3-[3-(1H-imidazol-2-ylamino)propyl]-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-6-yl]propanoic acid

Drug info:

PubChemData

Smile

CCNCCCCNCCCCNCC=C(CNC)CNCCCCNCCCCNCC

DOS

IR

Vibrations