Geometry & MOs

Info

ID:

421818

PubChem CID:

135116667

Reduced:

S2N7O7C34H49 (1)

Stoich.:

A2B7C7D34E49 (1)

Weight, g/mol:

544.232185

ΔHf, kcal/mol:

-253.93

Dipole, Da:

10.39

IP(EA), eV:

 -8.44(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(5,6-dimethoxy-12-oxo-17,20-dioxa-11,14-diazatetracyclo[19.2.2.02,11.03,8]pentacosa-1(23),3,5,7,21,24-hexaene-14-carbonyl)-1-methylpyrrole-3-carbonitrile

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N1)C)C(C)C)C(=O)CCO)CC3=CC=CC=C3)CCSC

DOS

IR

Vibrations