Geometry & MOs

Info

ID:

132306

PubChem CID:

51341239

Reduced:

N4O7H72C73 (1)

Stoich.:

A4B7C72D73 (1)

Weight, g/mol:

952.363649

ΔHf, kcal/mol:

-101.0

Dipole, Da:

6.32

IP(EA), eV:

 -8.78(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] (2S)-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)NC(=O)COC3=CC=C(C=C3)C(C4=C(C=C(C=C4)OC)OC)NC(=O)[C@@H](CCCCNC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=C(C=C7)C)NC(=O)OCC8C9=CC=CC=C9C1=CC=CC=C81

DOS

IR

Vibrations