Geometry & MOs

Info

ID:

170403

PubChem CID:

75228223

Reduced:

N5O15C52H83 (1)

Stoich.:

A5B15C52D83 (1)

Weight, g/mol:

668.14256

ΔHf, kcal/mol:

-644.81

Dipole, Da:

6.82

IP(EA), eV:

 -7.64(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3',10'-bis(4-methoxyphenyl)-6'-(phenylselanylmethyl)spiro[2H-chromene-3,9'-8-oxa-3,7-diazatricyclo[5.3.0.02,5]decane]-4,4'-dione

Drug info:

PubChemData

Smile

CCC1C(C(C(C(=O)NC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)OC(=O)CCNCC(=O)NC3=CC4=C(C=CC=N4)C=C3)(C)OC)C)OC5C(C(CC(O5)C)N(C)C)O)(C)OC)C)C)O)(C)O

DOS

IR

Vibrations