Geometry & MOs

Info

ID:

296737

PubChem CID:

117591067

Reduced:

ClN4O4C32H45 (1)

Stoich.:

AB4C4D32E45 (1)

Weight, g/mol:

1676.826565

ΔHf, kcal/mol:

-74.92

Dipole, Da:

8.8

IP(EA), eV:

 -9.19(-0.53)

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;1-(3,7-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-2-(5-methoxy-2,2-dimethylchromen-6-yl)ethanone

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)N(CCCl)N=O.CC12CCC3C(C1CCC2(C#C)O)CCC4=CC5=C(CC34C)C=NO5

DOS

IR

Vibrations