Geometry & MOs

Info

ID:

296738

PubChem CID:

117591109

Reduced:

N10O22C89H116 (1)

Stoich.:

A10B22C89D116 (1)

Weight, g/mol:

1536.742836

ΔHf, kcal/mol:

-839.9

Dipole, Da:

5.88

IP(EA), eV:

 -8.63(-1.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[3,6,10-trimethyl-2,5,8,12,15-pentaoxo-7,14-di(propan-2-yl)-9-oxa-3,6,13-triazabicyclo[14.3.0]nonadecan-11-yl]phenoxazine-1,9-dicarboxamide;3,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene

Drug info:

PubChemData

Smile

CC1C(C(=O)NC(C(=O)C2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCC7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C.CC1(C=CC2=C(O1)C=CC(=C2OC)CC(=O)C3=C(C=C4C(=C3)CC(C(O4)(C)C)O)O)C

DOS

IR

Vibrations