Geometry & MOs

Info

ID:

340013

PubChem CID:

127262022

Reduced:

N7O7C18H29 (1)

Stoich.:

A7B7C18D29 (1)

Weight, g/mol:

664.3234

ΔHf, kcal/mol:

-317.0

Dipole, Da:

8.5

IP(EA), eV:

 -9.81(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[4-(acridin-9-ylamino)phenyl]-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-N-(2-amino-2-oxoethyl)hexanamide

Drug info:

PubChemData

Smile

CC(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)N(C)CC(=O)N

DOS

IR

Vibrations