Geometry & MOs

Info

ID:

79978

PubChem CID:

49831943

Reduced:

P3N7O18C28H46 (1)

Stoich.:

A3B7C18D28E46 (1)

Weight, g/mol:

446.163043

ΔHf, kcal/mol:

-949.88

Dipole, Da:

12.83

IP(EA), eV:

 -9.19(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(2-methoxyphenyl)-14-methyl-15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)/C=C/CCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O

DOS

IR

Vibrations