Geometry & MOs

Info

ID:

418876

PubChem CID:

135107019

Reduced:

NSO4C16H25 (1)

Stoich.:

ABC4D16E25 (1)

Weight, g/mol:

622.246121

ΔHf, kcal/mol:

-161.82

Dipole, Da:

3.84

IP(EA), eV:

 -8.8(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S)-5-(2,5-dimethylfuran-3-carbonyl)-22-methoxy-13-(thiophene-2-carbonyl)-2-oxa-5,8,13,17-tetrazatricyclo[17.3.1.13,6]tetracosa-1(22),19(23),20-triene-7,18-dione

Drug info:

PubChemData

Smile

CCCCSCC1=C(OC(=C1)C(=O)N(C)[C@H]2COC[C@@H]2O)C

DOS

IR

Vibrations