Geometry & MOs

Info

ID:

221754

PubChem CID:

85286109

Reduced:

N7O8C29H43 (1)

Stoich.:

A7B8C29D43 (1)

Weight, g/mol:

617.313472

ΔHf, kcal/mol:

-302.14

Dipole, Da:

13.93

IP(EA), eV:

 -9.22(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-acetamido-3-[(5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl)methylsulfanyl]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(C)C(CNC(C)C(=O)NC(C)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(C(C)C)NC(=O)C(C)N2C(=O)CCC2=O

DOS

IR

Vibrations